carboxy-methoxycarbonylsulfanyl-methyl-(3-propan-2-ylphenyl)azanium

Systemtic Name: carboxy-methoxycarbonylsulfanyl-methyl-(3-propan-2-ylphenyl)azanium Openeye Name: carboxy-(3-isopropylphenyl)-methoxycarbonylsulfanyl-methyl-ammonium CAS Name: carboxy-(methoxycarbonylthio)-methyl-(3-propan-2-ylphenyl)ammonium IUPAC Name: carboxy-methoxycarbonylsulfanyl-methyl-(3-propan-2-ylphenyl)azanium Traditional Name: (carbomethoxythio)-carboxy-m-cumenyl-methyl-ammonium Formula: C13H18NO4S+ MolecularWeight: 284.35132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S/c1-9(2)10-6-5-7-11(8-10)14(3,12(15)16)19-13(17)18-4/h5-9H,1-4H3/p+1