carboxy-(4-cyanophenyl)-methoxycarbonylsulfanyl-methyl-azanium

Systemtic Name: carboxy-(4-cyanophenyl)-methoxycarbonylsulfanyl-methyl-azanium Openeye Name: carboxy-(4-cyanophenyl)-methoxycarbonylsulfanyl-methyl-ammonium CAS Name: carboxy-(4-cyanophenyl)-(methoxycarbonylthio)-methylammonium IUPAC Name: carboxy-(4-cyanophenyl)-methoxycarbonylsulfanyl-methylazanium Traditional Name: (carbomethoxythio)-carboxy-(4-cyanophenyl)-methyl-ammonium Formula: C11H11N2O4S+ MolecularWeight: 267.28104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O4S/c1-13(10(14)15,18-11(16)17-2)9-5-3-8(7-12)4-6-9/h3-6H,1-2H3/p+1