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: MITCBABBSMXUOC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2229651

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H21N3O4S/c1-23-16(22)13-9-4-2-3-5-11(9)24-15(13)19-12(20)8-10-14(21)18-7-6-17-10/h10,17H,2-8H2,1H3,(H,18,21)(H,19,20)
C16H21N3O4S351.42064262000
1651461

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H21N3O4S/c1-23-16(22)13-9-4-2-3-5-11(9)24-15(13)19-12(20)8-10-14(21)18-7-6-17-10/h10,17H,2-8H2,1H3,(H,18,21)(H,19,20)/t10-/m0/s1
C16H21N3O4S351.42062100
1651463

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H21N3O4S/c1-23-16(22)13-9-4-2-3-5-11(9)24-15(13)19-12(20)8-10-14(21)18-7-6-17-10/h10,17H,2-8H2,1H3,(H,18,21)(H,19,20)/t10-/m1/s1
C16H21N3O4S351.42062100
1651460

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H21N3O4S/c1-23-16(22)13-9-4-2-3-5-11(9)24-15(13)19-12(20)8-10-14(21)18-7-6-17-10/h10,17H,2-8H2,1H3,(H,18,21)(H,19,20)/p+1/t10-/m0/s1
C16H22N3O4S352.4281100
1651462

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H21N3O4S/c1-23-16(22)13-9-4-2-3-5-11(9)24-15(13)19-12(20)8-10-14(21)18-7-6-17-10/h10,17H,2-8H2,1H3,(H,18,21)(H,19,20)/p+1/t10-/m1/s1
C16H22N3O4S352.4281100
3285321

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H21N3O4S/c1-23-16(22)13-9-4-2-3-5-11(9)24-15(13)19-12(20)8-10-14(21)18-7-6-17-10/h10,17H,2-8H2,1H3,(H,18,21)(H,19,20)/p+1
C16H22N3O4S352.4281100

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