(3-methoxy-3-oxidanylidene-propyl)-phenyl-azanium; 4-methylbenzenesulfinate

Systemtic Name: (3-methoxy-3-oxidanylidene-propyl)-phenyl-azanium; 4-methylbenzenesulfinate Openeye Name: (3-methoxy-3-oxo-propyl)-phenyl-ammonium; 4-methylbenzenesulfinate CAS Name: (3-methoxy-3-oxopropyl)-phenylammonium; 4-methylbenzenesulfinate IUPAC Name: (3-methoxy-3-oxopropyl)-phenylazanium; 4-methylbenzenesulfinate Traditional Name: (3-keto-3-methoxy-propyl)-phenyl-ammonium; 4-methylbenzenesulfinate Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)[O-].COC(=O)CC[NH2+]C1=CC=CC=C1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)[O-].COC(=O)CC[NH2+]C1=CC=CC=C1

InChI

InChI=1S/C10H13NO2.C7H8O2S/c1-13-10(12)7-8-11-9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)10(8)9/h2-6,11H,7-8H2,1H3;2-5H,1H3,(H,8,9)