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 7 results

Search term: DAVPSCAAXXVSFU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
59177

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C8H10BrNO3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
C8H10BrNO3S280.1389394300
81590

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C8H10BrNO3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,1-2H3,(H,12,13)/t3-,4-,6+/m0/s1
C8H10BrNO3S280.1389181600
13753276

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C8H10BrNO3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,1-2H3,(H,12,13)
C8H10BrNO3S280.13892500
16741660

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C8H10BrNO3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,1-2H3,(H,12,13)/t3?,4-,6+/m0/s1
C8H10BrNO3S280.13891112
30903428

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C8H10BrNO3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,1-2H3,(H,12,13)/t3-,4+,6?/m1/s1
C8H10BrNO3S280.13891100
73978906

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C8H10BrNO3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,1-2H3,(H,12,13)/t3?,4-,6?/m0/s1
C8H10BrNO3S280.13891100
78075799

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C8H10BrNO3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,1-2H3,(H,12,13)/t3-,4+,6+/m1/s1
C8H10BrNO3S280.13891100

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