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 3 results

Search term: BBRXIMOXXQYCCP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4947471

Double-bond stereo

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C29H34O10/c1-16-6-9-27-14-34-22(31)12-17-7-10-35-28(23(32)25(33)39-24(17)28)8-4-3-5-21(30)38-18-13-20(37-19(27)11-16)29(15-36-29)26(18,27)2/h3-5,8,11-12,18-20,23-25,32-33H,6-7,9-10,13-15H2,1-2H3/b5-3-,8-4-,17-12+
C29H34O10542.57432200
8545559

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H34O10/c1-16-6-9-27-14-34-22(31)12-17-7-10-35-28(23(32)25(33)39-24(17)28)8-4-3-5-21(30)38-18-13-20(37-19(27)11-16)29(15-36-29)26(18,27)2/h3-5,8,11-12,18-20,23-25,32-33H,6-7,9-10,13-15H2,1-2H3/b5-3-,8-4-,17-12+/t18-,19-,20-,23+,24-,25-,26-,27-,28-,29+/m1/s1
C29H34O10542.57432100
78445476

Double-bond stereo

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

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