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2-[(2-methyl-2-nitrososulfanyl-propyl)carbamoyl]benzoic acid

2-[(2-methyl-2-nitrososulfanyl-propyl)carbamoyl]benzoic acid

Systemtic Name:2-[(2-methyl-2-nitrososulfanyl-propyl)carbamoyl]benzoic acid
Openeye Name:2-[(2-methyl-2-nitrososulfanyl-propyl)carbamoyl]benzoic acid
CAS Name:2-[[[2-methyl-2-(nitrosothio)propyl]amino]-oxomethyl]benzoic acid
IUPAC Name:2-[(2-methyl-2-nitrososulfanylpropyl)carbamoyl]benzoic acid
Traditional Name:2-[[2-methyl-2-(nitrosothio)propyl]carbamoyl]benzoic acid
Formula: C12H14N2O4S
MolecularWeight: 282.31556
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC=CC=C1C(=O)O)SN=O


Isomeric SMILES

CC(C)(CNC(=O)C1=CC=CC=C1C(=O)O)SN=O


InChI

InChI=1S/C12H14N2O4S/c1-12(2,19-14-18)7-13-10(15)8-5-3-4-6-9(8)11(16)17/h3-6H,7H2,1-2H3,(H,13,15)(H,16,17)


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