disodium (3E)-4-oxidanylidene-3-[(2-propan-2-ylphenyl)hydrazinylidene]naphthalene-2,7-disulfonate

Systemtic Name: disodium (3E)-4-oxidanylidene-3-[(2-propan-2-ylphenyl)hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: disodium (3E)-3-[(2-isopropylphenyl)hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: disodium (3E)-4-oxo-3-[(2-propan-2-ylphenyl)hydrazinylidene]naphthalene-2,7-disulfonate IUPAC Name: disodium (3E)-4-oxo-3-[(2-propan-2-ylphenyl)hydrazinylidene]naphthalene-2,7-disulfonate Traditional Name: disodium (3E)-4-keto-3-(o-cumenylhydrazono)naphthalene-2,7-disulfonate Formula: C19H16N2Na2O7S2 MolecularWeight: 494.44908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NN=C2C(=CC3=C(C2=O)C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(C)C1=CC=CC=C1N/N=C\2/C(=CC3=C(C2=O)C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C19H18N2O7S2.2Na/c1-11(2)14-5-3-4-6-16(14)20-21-18-17(30(26,27)28)10-12-9-13(29(23,24)25)7-8-15(12)19(18)22;;/h3-11,20H,1-2H3,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2/b21-18-;;