Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 8 results

Search term: PVXYTEIQFPXSSW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9277408

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H31NO6/c1-3-14-30-24-22(26-18(2)27)25(31-16-20-12-8-5-9-13-20)32-21(23(24)28)17-29-15-19-10-6-4-7-11-19/h3-13,21-25,28H,1,14-17H2,2H3,(H,26,27)/t21-,22-,23-,24-,25+/m1/s1
C25H31NO6441.5167191400
4177100

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C25H31NO6/c1-3-14-30-24-22(26-18(2)27)25(31-16-20-12-8-5-9-13-20)32-21(23(24)28)17-29-15-19-10-6-4-7-11-19/h3-13,21-25,28H,1,14-17H2,2H3,(H,26,27)
C25H31NO6441.516745300
23977397

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C25H31NO6/c1-3-14-30-24-22(26-18(2)27)25(31-16-20-12-8-5-9-13-20)32-21(23(24)28)17-29-15-19-10-6-4-7-11-19/h3-13,21-25,28H,1,14-17H2,2H3,(H,26,27)/t21?,22-,23+,24+,25-/m0/s1
C25H31NO6441.51674100
62693342

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H31NO6/c1-3-14-30-24-22(26-18(2)27)25(31-16-20-12-8-5-9-13-20)32-21(23(24)28)17-29-15-19-10-6-4-7-11-19/h3-13,21-25,28H,1,14-17H2,2H3,(H,26,27)/t21-,22-,23+,24+,25-/m0/s1
C25H31NO6441.51672200
62693356

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H31NO6/c1-3-14-30-24-22(26-18(2)27)25(31-16-20-12-8-5-9-13-20)32-21(23(24)28)17-29-15-19-10-6-4-7-11-19/h3-13,21-25,28H,1,14-17H2,2H3,(H,26,27)/t21-,22+,23-,24+,25+/m0/s1
C25H31NO6441.51672200
96633110

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C25H31NO6/c1-3-14-30-24-22(26-18(2)27)25(31-16-20-12-8-5-9-13-20)32-21(23(24)28)17-29-15-19-10-6-4-7-11-19/h3-13,21-25,28H,1,14-17H2,2H3,(H,26,27)/t21?,22?,23-,24+,25+/m1/s1
C25H31NO6441.51671100
111309152

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C25H31NO6/c1-3-14-30-24-22(26-18(2)27)25(31-16-20-12-8-5-9-13-20)32-21(23(24)28)17-29-15-19-10-6-4-7-11-19/h3-13,21-25,28H,1,14-17H2,2H3,(H,26,27)/t21?,22?,23-,24+,25+/m0/s1
C25H31NO6441.51671100
29788595

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C25H31NO6/c1-3-14-30-24-22(26-18(2)27)25(31-16-20-12-8-5-9-13-20)32-21(23(24)28)17-29-15-19-10-6-4-7-11-19/h3-13,21-25,28H,1,14-17H2,2H3,(H,26,27)/t21?,22?,23-,24?,25+/m1/s1
C25H31NO6441.51671100

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