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

Systemtic Name: [4-[(E)-3-azanyl-3-azanylidene-prop-1-enyl]phenyl] ethanoate; methanesulfonate Openeye Name: [4-[(E)-3-amino-3-imino-prop-1-enyl]phenyl] acetate; methanesulfonate CAS Name: acetic acid [4-[(E)-3-amino-3-iminoprop-1-enyl]phenyl] ester; methanesulfonate IUPAC Name: [4-[(E)-3-amino-3-iminoprop-1-enyl]phenyl] acetate; methanesulfonate Traditional Name: acetic acid [4-[(E)-3-amino-3-imino-prop-1-enyl]phenyl] ester mesylate Formula: C12H15N2O5S- MolecularWeight: 299.3229

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C=CC(=N)N.CS(=O)(=O)[O-]

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)/C=C/C(=N)N.CS(=O)(=O)[O-]

InChI

InChI=1S/C11H12N2O2.CH4O3S/c1-8(14)15-10-5-2-9(3-6-10)4-7-11(12)13;1-5(2,3)4/h2-7H,1H3,(H3,12,13);1H3,(H,2,3,4)/p-1/b7-4+;