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: LMFMOBJDPHWCJT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10257958

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C31H47NO11/c1-18-16-31(39-7,43-20(3)19(18)2)26(36)28(37)32-29-25-24(40-17-41-29)27(38-6)30(4,5)22(42-25)15-21(33)13-11-9-8-10-12-14-23(34)35/h8,10-14,19-22,24-27,29,33,36H,1,9,15-17H2,2-7H3,(H,32,37)(H,34,35)/b10-8+,13-11+,14-12+/t19-,20-,21?,22-,24+,25+,26-,27-,29+,31-/m1/s1
C31H47NO11609.7054400
24604807

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H47NO11/c1-18-16-31(39-7,43-20(3)19(18)2)26(36)28(37)32-29-25-24(40-17-41-29)27(38-6)30(4,5)22(42-25)15-21(33)13-11-9-8-10-12-14-23(34)35/h8,10-14,19-22,24-27,29,33,36H,1,9,15-17H2,2-7H3,(H,32,37)(H,34,35)/b10-8+,13-11+,14-12+/t19-,20-,21-,22-,24+,25+,26-,27-,29+,31-/m1/s1
C31H47NO11609.7053300
8408705

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H47NO11/c1-18-16-31(39-7,43-20(3)19(18)2)26(36)28(37)32-29-25-24(40-17-41-29)27(38-6)30(4,5)22(42-25)15-21(33)13-11-9-8-10-12-14-23(34)35/h8,10-14,19-22,24-27,29,33,36H,1,9,15-17H2,2-7H3,(H,32,37)(H,34,35)/b10-8+,13-11+,14-12+/t19-,20-,21-,22-,24+,25+,26-,27-,29-,31-/m1/s1
C31H47NO11609.7052100

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