2-methyl-3-oxidanylidene-3-phenylazanyl-propane-1-sulfinate; phenylazanium

Systemtic Name: 2-methyl-3-oxidanylidene-3-phenylazanyl-propane-1-sulfinate; phenylazanium Openeye Name: 3-anilino-2-methyl-3-oxo-propane-1-sulfinate; phenylammonium CAS Name: 3-anilino-2-methyl-3-oxo-1-propanesulfinate; phenylammonium IUPAC Name: 3-anilino-2-methyl-3-oxopropane-1-sulfinate; phenylazanium Traditional Name: 3-anilino-3-keto-2-methyl-propane-1-sulfinate; phenylammonium Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)[O-])C(=O)NC1=CC=CC=C1.C1=CC=C(C=C1)[NH3+]

Isomeric SMILES

CC(CS(=O)[O-])C(=O)NC1=CC=CC=C1.C1=CC=C(C=C1)[NH3+]

InChI

InChI=1S/C10H13NO3S.C6H7N/c1-8(7-15(13)14)10(12)11-9-5-3-2-4-6-9;7-6-4-2-1-3-5-6/h2-6,8H,7H2,1H3,(H,11,12)(H,13,14);1-5H,7H2