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 7 results

Search term: IINZASCKGHCXIA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9214761

Double-bond stereo

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C32H48O14/c1-7-31(5)13-9-11-17(3)27(39)42-16-20-22(34)24(36)26(38)30(44-20)46-32(6,8-2)14-10-12-18(4)28(40)41-15-19-21(33)23(35)25(37)29(43-19)45-31/h7-8,11-12,19-26,29-30,33-38H,1-2,9-10,13-16H2,3-6H3/b17-11-,18-12+/t19-,20-,21-,22-,23+,24-,25-,26-,29+,30+,31?,32?/m1/s1
C32H48O14656.71512100
10142271

Double-bond stereo

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C32H48O14/c1-7-31(5)13-9-11-17(3)27(39)42-16-20-22(34)24(36)26(38)30(44-20)46-32(6,8-2)14-10-12-18(4)28(40)41-15-19-21(33)23(35)25(37)29(43-19)45-31/h7-8,11-12,19-26,29-30,33-38H,1-2,9-10,13-16H2,3-6H3/b17-11-,18-12+/t19-,20-,21-,22-,23-,24-,25-,26-,29+,30+,31?,32?/m1/s1
C32H48O14656.71512200
95502737

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C32H48O14/c1-7-31(5)13-9-11-17(3)27(39)42-16-20-22(34)24(36)26(38)30(44-20)46-32(6,8-2)14-10-12-18(4)28(40)41-15-19-21(33)23(35)25(37)29(43-19)45-31/h7-8,11-12,19-26,29-30,33-38H,1-2,9-10,13-16H2,3-6H3/b17-11+,18-12+/t19-,20-,21-,22-,23-,24-,25-,26-,29+,30+,31+,32+/m1/s1
C32H48O14656.71512200
127383221

Double-bond stereo

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C32H48O14/c1-7-31(5)13-9-11-17(3)27(39)42-16-20-22(34)24(36)26(38)30(44-20)46-32(6,8-2)14-10-12-18(4)28(40)41-15-19-21(33)23(35)25(37)29(43-19)45-31/h7-8,11-12,19-26,29-30,33-38H,1-2,9-10,13-16H2,3-6H3/b17-11-,18-12-/t19-,20-,21-,22-,23-,24-,25-,26-,29+,30+,31?,32?/m1/s1
C32H48O14656.71512200
558844

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C32H48O14/c1-7-31(5)13-9-11-17(3)27(39)42-16-20-22(34)24(36)26(38)30(44-20)46-32(6,8-2)14-10-12-18(4)28(40)41-15-19-21(33)23(35)25(37)29(43-19)45-31/h7-8,11-12,19-26,29-30,33-38H,1-2,9-10,13-16H2,3-6H3/b17-11-,18-12+/t19-,20-,21+,22+,23+,24-,25+,26-,29+,30+,31-,32-/m1/s1
C32H48O14656.71511100
111307622

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C32H48O14/c1-7-31(5)13-9-11-17(3)27(39)42-16-20-22(34)24(36)26(38)30(44-20)46-32(6,8-2)14-10-12-18(4)28(40)41-15-19-21(33)23(35)25(37)29(43-19)45-31/h7-8,11-12,19-26,29-30,33-38H,1-2,9-10,13-16H2,3-6H3/b17-11-,18-12-/t19-,20-,21-,22-,23-,24-,25-,26-,29+,30+,31+,32+/m1/s1
C32H48O14656.71511100
115285028

Double-bond stereo

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C32H48O14/c1-7-31(5)13-9-11-17(3)27(39)42-16-20-22(34)24(36)26(38)30(44-20)46-32(6,8-2)14-10-12-18(4)28(40)41-15-19-21(33)23(35)25(37)29(43-19)45-31/h7-8,11-12,19-26,29-30,33-38H,1-2,9-10,13-16H2,3-6H3/b17-11+,18-12+/t19-,20-,21-,22-,23-,24-,25-,26-,29+,30+,31?,32?/m1/s1
C32H48O14656.71511100

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