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 4 results

Search term: CBRAUJSCEKZDDA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8683116

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C32H50O10/c1-4-26-28(37)20-25(35)18-23(33)15-13-16-24(34)19-29(38)30(31(39)40)27(36)17-12-10-8-6-5-7-9-11-14-21(2)22(3)42-32(26)41/h5-12,14,17,21-30,33-38H,4,13,15-16,18-20H2,1-3H3,(H,39,40)/b6-5+,9-7+,10-8+,14-11+,17-12+/t21-,22+,23-,24+,25-,26+,27+,28-,29+,30-/m0/s1
C32H50O10594.73345400
78440001

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C32H50O10/c1-4-26-28(37)20-25(35)18-23(33)15-13-16-24(34)19-29(38)30(31(39)40)27(36)17-12-10-8-6-5-7-9-11-14-21(2)22(3)42-32(26)41/h5-12,14,17,21-30,33-38H,4,13,15-16,18-20H2,1-3H3,(H,39,40)/b6-5-,9-7-,10-8-,14-11?,17-12-/t21-,22+,23-,24+,25-,26+,27+,28-,29+,30-/m0/s1
C32H50O10594.73341100
79715790

Double-bond stereo

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C32H50O10/c1-4-26-28(37)20-25(35)18-23(33)15-13-16-24(34)19-29(38)30(31(39)40)27(36)17-12-10-8-6-5-7-9-11-14-21(2)22(3)42-32(26)41/h5-12,14,17,21-30,33-38H,4,13,15-16,18-20H2,1-3H3,(H,39,40)/b6-5-,9-7-,10-8-,14-11-,17-12-/t21?,22?,23-,24+,25-,26?,27-,28+,29+,30-/m0/s1
C32H50O10594.73341100

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