[methoxycarbonylsulfanyl-methyl-[2-(2-methylprop-2-enyl)phenyl]azaniumyl]methanoate

Systemtic Name: [methoxycarbonylsulfanyl-methyl-[2-(2-methylprop-2-enyl)phenyl]azaniumyl]methanoate Openeye Name: [methoxycarbonylsulfanyl-methyl-[2-(2-methylallyl)phenyl]ammonio]formate CAS Name: [(methoxycarbonylthio)-methyl-[2-(2-methylprop-2-enyl)phenyl]ammonio]formate IUPAC Name: [methoxycarbonylsulfanyl-methyl-[2-(2-methylprop-2-enyl)phenyl]azaniumyl]formate Traditional Name: [(carbomethoxythio)-methyl-[2-(2-methylallyl)phenyl]ammonio]formate Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO4S/c1-10(2)9-11-7-5-6-8-12(11)15(3,13(16)17)20-14(18)19-4/h5-8H,1,9H2,2-4H3