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 8 results

Search term: OTBMTWUPWVANPM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24623566

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C30H44O4/c1-19(2)7-6-8-21(4)25-13-14-30(29(33)34)26(15-20(3)16-27(30)18-25)17-22(5)23-9-11-24(12-10-23)28(31)32/h7,13-15,17,21,23-27H,6,8-12,16,18H2,1-5H3,(H,31,32)(H,33,34)/b22-17+/t21-,23?,24?,25+,26-,27-,30+/m1/s1
C30H44O4468.6684400
24616920

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C30H44O4/c1-19(2)7-6-8-21(4)25-13-14-30(29(33)34)26(15-20(3)16-27(30)18-25)17-22(5)23-9-11-24(12-10-23)28(31)32/h7,13-15,17,21,23-27H,6,8-12,16,18H2,1-5H3,(H,31,32)(H,33,34)/b22-17+/t21-,23?,24?,25+,26+,27-,30+/m1/s1
C30H44O4468.6683300
58116368

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H44O4/c1-19(2)7-6-8-21(4)25-13-14-30(29(33)34)26(15-20(3)16-27(30)18-25)17-22(5)23-9-11-24(12-10-23)28(31)32/h7,13-15,17,21,23-27H,6,8-12,16,18H2,1-5H3,(H,31,32)(H,33,34)/b22-17+/t21-,23-,24-,25-,26+,27+,30-/m0/s1
C30H44O4468.6682200
58116369

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H44O4/c1-19(2)7-6-8-21(4)25-13-14-30(29(33)34)26(15-20(3)16-27(30)18-25)17-22(5)23-9-11-24(12-10-23)28(31)32/h7,13-15,17,21,23-27H,6,8-12,16,18H2,1-5H3,(H,31,32)(H,33,34)/b22-17+/t21-,23-,24-,25+,26-,27-,30+/m1/s1
C30H44O4468.6682200
58116370

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H44O4/c1-19(2)7-6-8-21(4)25-13-14-30(29(33)34)26(15-20(3)16-27(30)18-25)17-22(5)23-9-11-24(12-10-23)28(31)32/h7,13-15,17,21,23-27H,6,8-12,16,18H2,1-5H3,(H,31,32)(H,33,34)/b22-17+/t21-,23-,24-,25-,26+,27+,30-/m1/s1
C30H44O4468.6682200
90631737

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C30H44O4/c1-19(2)7-6-8-21(4)25-13-14-30(29(33)34)26(15-20(3)16-27(30)18-25)17-22(5)23-9-11-24(12-10-23)28(31)32/h7,13-15,17,21,23-27H,6,8-12,16,18H2,1-5H3,(H,31,32)(H,33,34)/b22-17+/t21-,23?,24?,25+,26-,27-,30+/m0/s1
C30H44O4468.6681100
90635304

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C30H44O4/c1-19(2)7-6-8-21(4)25-13-14-30(29(33)34)26(15-20(3)16-27(30)18-25)17-22(5)23-9-11-24(12-10-23)28(31)32/h7,13-15,17,21,23-27H,6,8-12,16,18H2,1-5H3,(H,31,32)(H,33,34)/b22-17+/t21-,23-,24?,25+,26-,27-,30+/m0/s1
C30H44O4468.6681100
129303633

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C30H44O4/c1-19(2)7-6-8-21(4)25-13-14-30(29(33)34)26(15-20(3)16-27(30)18-25)17-22(5)23-9-11-24(12-10-23)28(31)32/h7,13-15,17,21,23-27H,6,8-12,16,18H2,1-5H3,(H,31,32)(H,33,34)/b22-17+/t21-,23-,24?,25-,26+,27+,30-/m1/s1
C30H44O4468.6681100

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