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: WNEDOMBPJDUQPS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17616466

Charge

Double-bond stereo
InChI=1/2C8H17.2C4H4O4.Sn/c2*1-3-5-7-8-6-4-2;2*5-3(6)1-2-4(7)8;/h2*1,3-8H2,2H3;2*1-2H,(H,5,6)(H,7,8);/q;;;;+2/p-2/b;;2*2-1-;/rC24H40O8Sn/c1-3-5-7-9-11-13-19-33(20-14-12-10-8-6-4-2,31-23(29)17-15-21(25)26)32-24(30)18-16-22(27)28/h15-18H,3-14,19-20H2,1-2H3,(H,25,26)(H,27,28)/b17-15-,18-16-
C24H40O8Sn575.2796111500
57510518

Charge

Double-bond stereo
InChI=1/2C8H17.2C4H4O4.Sn/c2*1-3-5-7-8-6-4-2;2*5-3(6)1-2-4(7)8;/h2*1,3-8H2,2H3;2*1-2H,(H,5,6)(H,7,8);/q;;;;+2/p-2/b;;2*2-1+;/rC24H40O8Sn/c1-3-5-7-9-11-13-19-33(20-14-12-10-8-6-4-2,31-23(29)17-15-21(25)26)32-24(30)18-16-22(27)28/h15-18H,3-14,19-20H2,1-2H3,(H,25,26)(H,27,28)/b17-15+,18-16+
C24H40O8Sn575.27964400
32701674

Charge

Double-bond stereo
InChI=1/2C8H17.2C4H4O4.Sn/c2*1-3-5-7-8-6-4-2;2*5-3(6)1-2-4(7)8;/h2*1,3-8H2,2H3;2*1-2H,(H,5,6)(H,7,8);/q;;;;+2/p-2/b;;2*2-1-;/rC16H34Sn.2C4H4O4/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;2*5-3(6)1-2-4(7)8/h3-16H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/q+2;;/p-2/b;2*2-1-
C24H40O8Sn575.27962400
23352826

Charge

Double-bond stereo
InChI=1/2C8H17.2C4H4O4.Sn/c2*1-3-5-7-8-6-4-2;2*5-3(6)1-2-4(7)8;/h2*1,3-8H2,2H3;2*1-2H,(H,5,6)(H,7,8);/q;;;;+2/p-2/rC24H40O8Sn/c1-3-5-7-9-11-13-19-33(20-14-12-10-8-6-4-2,31-23(29)17-15-21(25)26)32-24(30)18-16-22(27)28/h15-18H,3-14,19-20H2,1-2H3,(H,25,26)(H,27,28)
C24H40O8Sn575.27961100

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