methanesulfonate; phenyl 4-[(E)-3-azanyl-3-azanylidene-prop-1-enyl]benzoate

Systemtic Name: methanesulfonate; phenyl 4-[(E)-3-azanyl-3-azanylidene-prop-1-enyl]benzoate Openeye Name: methanesulfonate; phenyl 4-[(E)-3-amino-3-imino-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-amino-3-iminoprop-1-enyl]benzoic acid phenyl ester; methanesulfonate IUPAC Name: methanesulfonate; phenyl 4-[(E)-3-amino-3-iminoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-amino-3-imino-prop-1-enyl]benzoic acid phenyl ester mesylate Formula: C17H17N2O5S- MolecularWeight: 361.39228

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C=CC(=N)N

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)/C=C/C(=N)N

InChI

InChI=1S/C16H14N2O2.CH4O3S/c17-15(18)11-8-12-6-9-13(10-7-12)16(19)20-14-4-2-1-3-5-14;1-5(2,3)4/h1-11H,(H3,17,18);1H3,(H,2,3,4)/p-1/b11-8+;