carboxy-methoxycarbonylsulfanyl-methyl-(2-propan-2-yl-3-sulfanyl-phenyl)azanium

Systemtic Name: carboxy-methoxycarbonylsulfanyl-methyl-(2-propan-2-yl-3-sulfanyl-phenyl)azanium Openeye Name: carboxy-(2-isopropyl-3-sulfanyl-phenyl)-methoxycarbonylsulfanyl-methyl-ammonium CAS Name: carboxy-(3-mercapto-2-propan-2-ylphenyl)-(methoxycarbonylthio)-methylammonium IUPAC Name: carboxy-methoxycarbonylsulfanyl-methyl-(2-propan-2-yl-3-sulfanylphenyl)azanium Traditional Name: (carbomethoxythio)-carboxy-(2-isopropyl-3-mercapto-phenyl)-methyl-ammonium Formula: C13H18NO4S2+ MolecularWeight: 316.41632

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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)/p+1