calcium 2-[(2Z)-2-(3-carboxy-2-oxidanylidene-naphthalen-1-ylidene)hydrazinyl]-5-ethoxy-benzenesulfonate

Systemtic Name: calcium 2-[(2Z)-2-(3-carboxy-2-oxidanylidene-naphthalen-1-ylidene)hydrazinyl]-5-ethoxy-benzenesulfonate Openeye Name: calcium 2-[(2Z)-2-(3-carboxy-2-oxo-1-naphthylidene)hydrazino]-5-ethoxy-benzenesulfonate CAS Name: calcium 2-[(2Z)-2-(3-carboxy-2-oxo-1-naphthalenylidene)hydrazinyl]-5-ethoxybenzenesulfonate IUPAC Name: calcium 2-[(2Z)-2-(3-carboxy-2-oxonaphthalen-1-ylidene)hydrazinyl]-5-ethoxybenzenesulfonate Traditional Name: calcium 2-[(N'Z)-N'-(3-carboxy-2-keto-1-naphthylidene)hydrazino]-5-ethoxy-besylate Formula: C19H15CaN2O7S+ MolecularWeight: 455.4746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NN=C2C3=CC=CC=C3C=C(C2=O)C(=O)O)S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CCOC1=CC(=C(C=C1)N/N=C\2/C3=CC=CC=C3C=C(C2=O)C(=O)O)S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/C19H16N2O7S.Ca/c1-2-28-12-7-8-15(16(10-12)29(25,26)27)20-21-17-13-6-4-3-5-11(13)9-14(18(17)22)19(23)24;/h3-10,20H,2H2,1H3,(H,23,24)(H,25,26,27);/q;+2/p-1/b21-17-;