3-oxidanylidene-3-phenylazanyl-propane-1-sulfonate; phenylazanium

Systemtic Name: 3-oxidanylidene-3-phenylazanyl-propane-1-sulfonate; phenylazanium Openeye Name: 3-anilino-3-oxo-propane-1-sulfonate; phenylammonium CAS Name: 3-anilino-3-oxo-1-propanesulfonate; phenylammonium IUPAC Name: 3-anilino-3-oxopropane-1-sulfonate; phenylazanium Traditional Name: 3-anilino-3-keto-propane-1-sulfonate; phenylammonium Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[NH3+].C1=CC=C(C=C1)NC(=O)CCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[NH3+].C1=CC=C(C=C1)NC(=O)CCS(=O)(=O)[O-]

InChI

InChI=1S/C9H11NO4S.C6H7N/c11-9(6-7-15(12,13)14)10-8-4-2-1-3-5-8;7-6-4-2-1-3-5-6/h1-5H,6-7H2,(H,10,11)(H,12,13,14);1-5H,7H2