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: AJNHZNGIYWGSEM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
22912729

Double-bond stereo

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C29H34O10/c1-16-6-8-27-14-34-23(31)11-17-10-20-28(35-13-17,24(32)25(33)39-20)7-4-3-5-22(30)38-18-12-21(37-19(27)9-16)29(15-36-29)26(18,27)2/h3-5,7,9,11,18-21,24-25,32-33H,6,8,10,12-15H2,1-2H3/b5-3-,7-4+,17-11-/t18-,19-,20?,21-,24?,25?,26-,27-,28?,29+/m1/s1
C29H34O10542.57436300
113652640

Double-bond stereo

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C29H34O10/c1-16-6-8-27-14-34-23(31)11-17-10-20-28(35-13-17,24(32)25(33)39-20)7-4-3-5-22(30)38-18-12-21(37-19(27)9-16)29(15-36-29)26(18,27)2/h3-5,7,9,11,18-21,24-25,32-33H,6,8,10,12-15H2,1-2H3/b5-3-,7-4-,17-11?/t18-,19-,20?,21-,24?,25?,26-,27-,28?,29+/m1/s1
C29H34O10542.57431100
115285192

Double-bond stereo

5 of 10 defined stereocentres - 5/10 defined
InChI=1/C29H34O10/c1-16-6-8-27-14-34-23(31)11-17-10-20-28(35-13-17,24(32)25(33)39-20)7-4-3-5-22(30)38-18-12-21(37-19(27)9-16)29(15-36-29)26(18,27)2/h3-5,7,9,11,18-21,24-25,32-33H,6,8,10,12-15H2,1-2H3/b5-3-,7-4+,17-11-/t18-,19-,20?,21?,24?,25?,26-,27-,28?,29+/m1/s1
C29H34O10542.57431100
129177284

Double-bond stereo

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C29H34O10/c1-16-6-8-27-14-34-23(31)11-17-10-20-28(35-13-17,24(32)25(33)39-20)7-4-3-5-22(30)38-18-12-21(37-19(27)9-16)29(15-36-29)26(18,27)2/h3-5,7,9,11,18-21,24-25,32-33H,6,8,10,12-15H2,1-2H3/b5-3-,7-4?,17-11-/t18-,19-,20?,21-,24?,25?,26-,27-,28?,29+/m1/s1
C29H34O10542.57431100
129309623

Double-bond stereo

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C29H34O10/c1-16-6-8-27-14-34-23(31)11-17-10-20-28(35-13-17,24(32)25(33)39-20)7-4-3-5-22(30)38-18-12-21(37-19(27)9-16)29(15-36-29)26(18,27)2/h3-5,7,9,11,18-21,24-25,32-33H,6,8,10,12-15H2,1-2H3/b5-3-,7-4+,17-11+/t18-,19-,20?,21-,24?,25?,26-,27-,28?,29+/m1/s1
C29H34O10542.57431100

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