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 9 results

Search term: SXTAYKAGBXMACB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
80339

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11?/m0/s1
C5H12N2O3S180.22549049300
15302

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)
C5H12N2O3S180.2254788910
21427523

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11+/m0/s1
C5H12N2O3S180.2254212500
5036235

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11?/m1/s1
C5H12N2O3S180.2254191600
18706132

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11-/m0/s1
C5H12N2O3S180.2254193200
26401872

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11+/m1/s1
C5H12N2O3S180.22542200
58785467

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11?/m0/s1/i1+1,2+1,3+1,4+1,5+1
13C5H12N2O3S185.18872400
75141754

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11-/m1/s1
C5H12N2O3S180.22541200

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