[1-[4-(2-methylpropyl)phenyl]ethyl-oxidanyl-(2-sulfanylideneethyl)azaniumyl]methanoate

Systemtic Name: [1-[4-(2-methylpropyl)phenyl]ethyl-oxidanyl-(2-sulfanylideneethyl)azaniumyl]methanoate Openeye Name: [hydroxy-[1-(4-isobutylphenyl)ethyl]-(2-thioxoethyl)ammonio]formate CAS Name: [hydroxy-[1-[4-(2-methylpropyl)phenyl]ethyl]-(2-sulfanylideneethyl)ammonio]formate IUPAC Name: [hydroxy-[1-[4-(2-methylpropyl)phenyl]ethyl]-(2-sulfanylideneethyl)azaniumyl]formate Traditional Name: [hydroxy-[1-(4-isobutylphenyl)ethyl]-(2-thioxoethyl)ammonio]formate Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)[N+](CC=S)(C(=O)[O-])O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)[N+](CC=S)(C(=O)[O-])O

InChI

InChI=1S/C15H21NO3S/c1-11(2)10-13-4-6-14(7-5-13)12(3)16(19,8-9-20)15(17)18/h4-7,9,11-12,19H,8,10H2,1-3H3