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
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Found 4 results

Search term: VRPUPAQJGXZCNY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
12281033

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H19FN4O4S/c23-14-6-8-16(9-7-14)32(29,30)18-12-17-21(25-19-5-1-2-10-26(19)22(17)28)27(20(18)24)13-15-4-3-11-31-15/h1-2,5-10,12,15,24H,3-4,11,13H2
C22H19FN4O4S454.4741171300
3573971

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H19FN4O4S/c23-14-6-8-16(9-7-14)32(29,30)18-12-17-21(25-19-5-1-2-10-26(19)22(17)28)27(20(18)24)13-15-4-3-11-31-15/h1-2,5-10,12,15,24H,3-4,11,13H2/b24-20+
C22H19FN4O4S454.47406323200
1516835

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H19FN4O4S/c23-14-6-8-16(9-7-14)32(29,30)18-12-17-21(25-19-5-1-2-10-26(19)22(17)28)27(20(18)24)13-15-4-3-11-31-15/h1-2,5-10,12,15,24H,3-4,11,13H2/p+1/t15-/m1/s1
C22H20FN4O4S455.48152100
1516836

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H19FN4O4S/c23-14-6-8-16(9-7-14)32(29,30)18-12-17-21(25-19-5-1-2-10-26(19)22(17)28)27(20(18)24)13-15-4-3-11-31-15/h1-2,5-10,12,15,24H,3-4,11,13H2/p+1/t15-/m0/s1
C22H20FN4O4S455.48152100

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