1-methyl-4-(sulfinoamino)benzene; 3-sulfanylbenzoic acid

Systemtic Name: 1-methyl-4-(sulfinoamino)benzene; 3-sulfanylbenzoic acid Openeye Name: 1-methyl-4-(sulfinoamino)benzene; 3-sulfanylbenzoic acid CAS Name: 3-mercaptobenzoic acid; 1-methyl-4-(sulfinoamino)benzene IUPAC Name: 1-methyl-4-(sulfinoamino)benzene; 3-sulfanylbenzoic acid Traditional Name: 3-mercaptobenzoic acid; 1-methyl-4-(sulfinoamino)benzene Formula: C14H15NO4S2 MolecularWeight: 325.4032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)O.C1=CC(=CC(=C1)S)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)O.C1=CC(=CC(=C1)S)C(=O)O

InChI

InChI=1S/C7H9NO2S.C7H6O2S/c1-6-2-4-7(5-3-6)8-11(9)10;8-7(9)5-2-1-3-6(10)4-5/h2-5,8H,1H3,(H,9,10);1-4,10H,(H,8,9)