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 5 results

Search term: WABXCPBYQFBXNG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5029392

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H18ClNO6/c1-11-13(21(28)29-17-10-16(24)15(22)9-14(11)17)7-8-18(25)23-19(20(26)27)12-5-3-2-4-6-12/h2-6,9-10,19,24H,7-8H2,1H3,(H,23,25)(H,26,27)/t19-/m0/s1
C21H18ClNO6415.8237161000
4792165

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H18ClNO6/c1-11-13(21(28)29-17-10-16(24)15(22)9-14(11)17)7-8-18(25)23-19(20(26)27)12-5-3-2-4-6-12/h2-6,9-10,19,24H,7-8H2,1H3,(H,23,25)(H,26,27)
C21H18ClNO6415.823712700
4894404

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H18ClNO6/c1-11-13(21(28)29-17-10-16(24)15(22)9-14(11)17)7-8-18(25)23-19(20(26)27)12-5-3-2-4-6-12/h2-6,9-10,19,24H,7-8H2,1H3,(H,23,25)(H,26,27)/t19-/m1/s1
C21H18ClNO6415.82377600
4614480

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H18ClNO6/c1-11-13(21(28)29-17-10-16(24)15(22)9-14(11)17)7-8-18(25)23-19(20(26)27)12-5-3-2-4-6-12/h2-6,9-10,19,24H,7-8H2,1H3,(H,23,25)(H,26,27)/p-1/t19-/m0/s1
C21H17ClNO6414.81631100
4614481

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H18ClNO6/c1-11-13(21(28)29-17-10-16(24)15(22)9-14(11)17)7-8-18(25)23-19(20(26)27)12-5-3-2-4-6-12/h2-6,9-10,19,24H,7-8H2,1H3,(H,23,25)(H,26,27)/p-1/t19-/m1/s1
C21H17ClNO6414.81631100

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