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: RNGVHSVFPINIAC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9608849

Double-bond stereo

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C44H60O7/c1-10-27(2)38(49)51-36-37(50-35(48)19-16-28-14-12-11-13-15-28)44(26-45)30(24-39(36,3)4)29-17-18-32-41(7)22-21-33(46)40(5,6)31(41)20-23-42(32,8)43(29,9)25-34(44)47/h10-17,19,26,30-34,36-37,46-47H,18,20-25H2,1-9H3/b19-16+,27-10-/t30?,31?,32-,33+,34-,36+,37+,41+,42-,43-,44+/m1/s1
C44H60O7700.9432100
23244593

Double-bond stereo

8 of 11 defined stereocentres - 8/11 defined
InChI=1/C44H60O7/c1-10-27(2)38(49)51-36-37(50-35(48)19-16-28-14-12-11-13-15-28)44(26-45)30(24-39(36,3)4)29-17-18-32-41(7)22-21-33(46)40(5,6)31(41)20-23-42(32,8)43(29,9)25-34(44)47/h10-17,19,26,30-34,36-37,46-47H,18,20-25H2,1-9H3/b19-16-,27-10-/t30?,31?,32?,33-,34+,36-,37-,41-,42+,43+,44-/m0/s1
C44H60O7700.9431100
23244595

Double-bond stereo

8 of 11 defined stereocentres - 8/11 defined
InChI=1/C44H60O7/c1-10-27(2)38(49)51-36-37(50-35(48)19-16-28-14-12-11-13-15-28)44(26-45)30(24-39(36,3)4)29-17-18-32-41(7)22-21-33(46)40(5,6)31(41)20-23-42(32,8)43(29,9)25-34(44)47/h10-17,19,26,30-34,36-37,46-47H,18,20-25H2,1-9H3/b19-16+,27-10-/t30?,31?,32?,33-,34+,36-,37-,41-,42+,43+,44-/m0/s1
C44H60O7700.9431100

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