[methoxycarbonylsulfanyl-methyl-(2-propan-2-yloxyphenyl)azaniumyl]methanoate

Systemtic Name: [methoxycarbonylsulfanyl-methyl-(2-propan-2-yloxyphenyl)azaniumyl]methanoate Openeye Name: [(2-isopropoxyphenyl)-methoxycarbonylsulfanyl-methyl-ammonio]formate CAS Name: [(methoxycarbonylthio)-methyl-(2-propan-2-yloxyphenyl)ammonio]formate IUPAC Name: [methoxycarbonylsulfanyl-methyl-(2-propan-2-yloxyphenyl)azaniumyl]formate Traditional Name: [(carbomethoxythio)-(2-isopropoxyphenyl)-methyl-ammonio]formate Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1[N+](C)(C(=O)[O-])SC(=O)OC

Isomeric SMILES

CC(C)OC1=CC=CC=C1[N+](C)(C(=O)[O-])SC(=O)OC

InChI

InChI=1S/C13H17NO5S/c1-9(2)19-11-8-6-5-7-10(11)14(3,12(15)16)20-13(17)18-4/h5-9H,1-4H3