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: CRWXTDHKQZZNHK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9470324

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H50O6/c1-7-8-13-24(5)31-25(6)27(33)16-11-9-15-22(3)30(36)23(4)18-19-26(32)20-28(34)21(2)14-10-12-17-29(35)37-31/h7-8,10,12-14,17-19,21-28,30-34,36H,1,9,11,15-16,20H2,2-6H3/b13-8-,14-10+,17-12-,19-18-/t21-,22+,23+,24+,25+,26-,27-,28+,30-,31+/m1/s1
C31H50O6518.72514300
9766444

Double-bond stereo

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C31H50O6/c1-7-8-13-24(5)31-25(6)27(33)16-11-9-15-22(3)30(36)23(4)18-19-26(32)20-28(34)21(2)14-10-12-17-29(35)37-31/h7-8,10,12-14,17-19,21-28,30-34,36H,1,9,11,15-16,20H2,2-6H3/b13-8-,14-10+,17-12-,19-18-/t21-,22+,23+,24?,25?,26-,27-,28+,30-,31?/m1/s1
C31H50O6518.72512100
23293225

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H50O6/c1-7-8-13-24(5)31-25(6)27(33)16-11-9-15-22(3)30(36)23(4)18-19-26(32)20-28(34)21(2)14-10-12-17-29(35)37-31/h7-8,10,12-14,17-19,21-28,30-34,36H,1,9,11,15-16,20H2,2-6H3/b13-8-,14-10+,17-12-,19-18-/t21-,22+,23+,24+,25+,26+,27-,28+,30-,31+/m1/s1
C31H50O6518.72512200
58117185

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H50O6/c1-7-8-13-24(5)31-25(6)27(33)16-11-9-15-22(3)30(36)23(4)18-19-26(32)20-28(34)21(2)14-10-12-17-29(35)37-31/h7-8,10,12-14,17-19,21-28,30-34,36H,1,9,11,15-16,20H2,2-6H3/b13-8-,14-10+,17-12+,19-18+/t21-,22+,23+,24+,25+,26-,27-,28+,30-,31+/m1/s1
C31H50O6518.72511100
58117231

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H50O6/c1-7-8-13-24(5)31-25(6)27(33)16-11-9-15-22(3)30(36)23(4)18-19-26(32)20-28(34)21(2)14-10-12-17-29(35)37-31/h7-8,10,12-14,17-19,21-28,30-34,36H,1,9,11,15-16,20H2,2-6H3/b13-8-,14-10-,17-12+,19-18+/t21-,22+,23+,24+,25+,26+,27-,28+,30-,31+/m1/s1
C31H50O6518.72511100

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