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: PZCDUVGZEQXVFC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
340802

Double-bond stereo

9 of 18 defined stereocentres - 9/18 defined
InChI=1/C41H70O14/c1-22(17-42)7-6-12-40(20-44)15-16-41(21-45)23(34(40)51)8-9-27-38(4)13-11-28(37(2,3)26(38)10-14-39(27,41)5)54-36-33(29(47)24(46)19-52-36)55-35-32(50)31(49)30(48)25(18-43)53-35/h7,23-36,42-51H,6,8-21H2,1-5H3/t23-,24?,25?,26+,27-,28+,29?,30?,31?,32?,33?,34-,35?,36?,38+,39-,40-,41+/m1/s1
C41H70O14786.98612100
2953363

Double-bond stereo

0 of 18 defined stereocentres - 0/18 defined
InChI=1/C41H70O14/c1-22(17-42)7-6-12-40(20-44)15-16-41(21-45)23(34(40)51)8-9-27-38(4)13-11-28(37(2,3)26(38)10-14-39(27,41)5)54-36-33(29(47)24(46)19-52-36)55-35-32(50)31(49)30(48)25(18-43)53-35/h7,23-36,42-51H,6,8-21H2,1-5H3
C41H70O14786.9860999999982100
4579347

Double-bond stereo

9 of 18 defined stereocentres - 9/18 defined
InChI=1/C41H70O14/c1-22(17-42)7-6-12-40(20-44)15-16-41(21-45)23(34(40)51)8-9-27-38(4)13-11-28(37(2,3)26(38)10-14-39(27,41)5)54-36-33(29(47)24(46)19-52-36)55-35-32(50)31(49)30(48)25(18-43)53-35/h7,23-36,42-51H,6,8-21H2,1-5H3/b22-7-/t23-,24?,25?,26+,27-,28+,29?,30?,31?,32?,33?,34-,35?,36?,38+,39-,40-,41+/m1/s1
C41H70O14786.98612200
4900242

Double-bond stereo

0 of 18 defined stereocentres - 0/18 defined
InChI=1/C41H70O14/c1-22(17-42)7-6-12-40(20-44)15-16-41(21-45)23(34(40)51)8-9-27-38(4)13-11-28(37(2,3)26(38)10-14-39(27,41)5)54-36-33(29(47)24(46)19-52-36)55-35-32(50)31(49)30(48)25(18-43)53-35/h7,23-36,42-51H,6,8-21H2,1-5H3/b22-7+
C41H70O14786.98612200

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