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

Systemtic Name: 2-[2-[(2-methyl-2-nitrososulfanyl-propyl)carbamoyl]phenyl]benzoic acid Openeye Name: 2-[2-[(2-methyl-2-nitrososulfanyl-propyl)carbamoyl]phenyl]benzoic acid CAS Name: 2-[2-[[[2-methyl-2-(nitrosothio)propyl]amino]-oxomethyl]phenyl]benzoic acid IUPAC Name: 2-[2-[(2-methyl-2-nitrososulfanylpropyl)carbamoyl]phenyl]benzoic acid Traditional Name: 2-[2-[[2-methyl-2-(nitrosothio)propyl]carbamoyl]phenyl]benzoic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC=CC=C1C2=CC=CC=C2C(=O)O)SN=O

Isomeric SMILES

CC(C)(CNC(=O)C1=CC=CC=C1C2=CC=CC=C2C(=O)O)SN=O

InChI

InChI=1S/C18H18N2O4S/c1-18(2,25-20-24)11-19-16(21)14-9-5-3-7-12(14)13-8-4-6-10-15(13)17(22)23/h3-10H,11H2,1-2H3,(H,19,21)(H,22,23)