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
Additional Filters

Found 5 results

Search term: OMXHPWPKAQWWJZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4091145

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C29H43N3O4/c1-29(2,3)36-28(35)32-19-23-10-8-7-9-22(23)17-25(32)27(34)30-18-20-13-15-21(16-14-20)26(33)31-24-11-5-4-6-12-24/h7-10,20-21,24-25H,4-6,11-19H2,1-3H3,(H,30,34)(H,31,33)
C29H43N3O4497.669429800
22880060

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C29H43N3O4/c1-29(2,3)36-28(35)32-19-23-10-8-7-9-22(23)17-25(32)27(34)30-18-20-13-15-21(16-14-20)26(33)31-24-11-5-4-6-12-24/h7-10,20-21,24-25H,4-6,11-19H2,1-3H3,(H,30,34)(H,31,33)/t20?,21-,25-/m0/s1
C29H43N3O4497.66946300
31001200

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C29H43N3O4/c1-29(2,3)36-28(35)32-19-23-10-8-7-9-22(23)17-25(32)27(34)30-18-20-13-15-21(16-14-20)26(33)31-24-11-5-4-6-12-24/h7-10,20-21,24-25H,4-6,11-19H2,1-3H3,(H,30,34)(H,31,33)/t20?,21?,25-/m0/s1
C29H43N3O4497.66943300
62331071

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C29H43N3O4/c1-29(2,3)36-28(35)32-19-23-10-8-7-9-22(23)17-25(32)27(34)30-18-20-13-15-21(16-14-20)26(33)31-24-11-5-4-6-12-24/h7-10,20-21,24-25H,4-6,11-19H2,1-3H3,(H,30,34)(H,31,33)/t20-,21+,25-/m0/s1
C29H43N3O4497.66941100
76832387

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C29H43N3O4/c1-29(2,3)36-28(35)32-19-23-10-8-7-9-22(23)17-25(32)27(34)30-18-20-13-15-21(16-14-20)26(33)31-24-11-5-4-6-12-24/h7-10,20-21,24-25H,4-6,11-19H2,1-3H3,(H,30,34)(H,31,33)/t20-,21-,25-/m0/s1
C29H43N3O4497.66941100

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