[methoxycarbonylsulfanyl-methyl-(2-propan-2-yl-3-sulfanyl-phenyl)azaniumyl]methanoate

Systemtic Name: [methoxycarbonylsulfanyl-methyl-(2-propan-2-yl-3-sulfanyl-phenyl)azaniumyl]methanoate Openeye Name: [(2-isopropyl-3-sulfanyl-phenyl)-methoxycarbonylsulfanyl-methyl-ammonio]formate CAS Name: [(3-mercapto-2-propan-2-ylphenyl)-(methoxycarbonylthio)-methylammonio]formate IUPAC Name: [methoxycarbonylsulfanyl-methyl-(2-propan-2-yl-3-sulfanylphenyl)azaniumyl]formate Traditional Name: [(carbomethoxythio)-(2-isopropyl-3-mercapto-phenyl)-methyl-ammonio]formate Formula: C13H17NO4S2 MolecularWeight: 315.40838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC=C1S)[N+](C)(C(=O)[O-])SC(=O)OC

Isomeric SMILES

CC(C)C1=C(C=CC=C1S)[N+](C)(C(=O)[O-])SC(=O)OC

InChI

InChI=1S/C13H17NO4S2/c1-8(2)11-9(6-5-7-10(11)19)14(3,12(15)16)20-13(17)18-4/h5-8H,1-4H3,(H-,15,16,19)