(3E)-7-methyl-5-(methylamino)-4-oxidanylidene-3-[(4-prop-2-enylphenyl)hydrazinylidene]naphthalene-2-sulfonic acid

Systemtic Name: (3E)-7-methyl-5-(methylamino)-4-oxidanylidene-3-[(4-prop-2-enylphenyl)hydrazinylidene]naphthalene-2-sulfonic acid Openeye Name: (3E)-3-[(4-allylphenyl)hydrazono]-7-methyl-5-(methylamino)-4-oxo-naphthalene-2-sulfonic acid CAS Name: (3E)-7-methyl-5-(methylamino)-4-oxo-3-[(4-prop-2-enylphenyl)hydrazinylidene]-2-naphthalenesulfonic acid IUPAC Name: (3E)-7-methyl-5-(methylamino)-4-oxo-3-[(4-prop-2-enylphenyl)hydrazinylidene]naphthalene-2-sulfonic acid Traditional Name: (3E)-3-[(4-allylphenyl)hydrazono]-4-keto-7-methyl-5-(methylamino)naphthalene-2-sulfonic acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=NNC3=CC=C(C=C3)CC=C)C2=O)S(=O)(=O)O)NC

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(/C(=N/NC3=CC=C(C=C3)CC=C)/C2=O)S(=O)(=O)O)NC

InChI

InChI=1S/C21H21N3O4S/c1-4-5-14-6-8-16(9-7-14)23-24-20-18(29(26,27)28)12-15-10-13(2)11-17(22-3)19(15)21(20)25/h4,6-12,22-23H,1,5H2,2-3H3,(H,26,27,28)/b24-20-