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 6 results

Search term: XKWCTPCDMGHMSE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10009904

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H34N2O4/c1-5-6-15-28(2)18-22(30)19-29-17-21(23-9-7-8-10-24(23)29)11-13-25(31)20-12-14-26(32-3)27(16-20)33-4/h7-14,16-17,22,30H,5-6,15,18-19H2,1-4H3/b13-11+
C27H34N2O4450.5699151200
32784192

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H34N2O4/c1-5-6-15-28(2)18-22(30)19-29-17-21(23-9-7-8-10-24(23)29)11-13-25(31)20-12-14-26(32-3)27(16-20)33-4/h7-14,16-17,22,30H,5-6,15,18-19H2,1-4H3
C27H34N2O4450.56994300
7816570

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H34N2O4/c1-5-6-15-28(2)18-22(30)19-29-17-21(23-9-7-8-10-24(23)29)11-13-25(31)20-12-14-26(32-3)27(16-20)33-4/h7-14,16-17,22,30H,5-6,15,18-19H2,1-4H3/b13-11+/t22-/m0/s1
C27H34N2O4450.56992100
7816572

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H34N2O4/c1-5-6-15-28(2)18-22(30)19-29-17-21(23-9-7-8-10-24(23)29)11-13-25(31)20-12-14-26(32-3)27(16-20)33-4/h7-14,16-17,22,30H,5-6,15,18-19H2,1-4H3/b13-11+/t22-/m1/s1
C27H34N2O4450.56992100
7816569

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H34N2O4/c1-5-6-15-28(2)18-22(30)19-29-17-21(23-9-7-8-10-24(23)29)11-13-25(31)20-12-14-26(32-3)27(16-20)33-4/h7-14,16-17,22,30H,5-6,15,18-19H2,1-4H3/p+1/b13-11+/t22-/m0/s1
C27H35N2O4451.57731100
7816571

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H34N2O4/c1-5-6-15-28(2)18-22(30)19-29-17-21(23-9-7-8-10-24(23)29)11-13-25(31)20-12-14-26(32-3)27(16-20)33-4/h7-14,16-17,22,30H,5-6,15,18-19H2,1-4H3/p+1/b13-11+/t22-/m1/s1
C27H35N2O4451.57731100

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