calcium 5-ethoxy-2-[(2Z)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]benzenesulfonate

Systemtic Name: calcium 5-ethoxy-2-[(2Z)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]benzenesulfonate Openeye Name: calcium 5-ethoxy-2-[(2Z)-2-(2-oxo-1-naphthylidene)hydrazino]benzenesulfonate CAS Name: calcium 5-ethoxy-2-[(2Z)-2-(2-oxo-1-naphthalenylidene)hydrazinyl]benzenesulfonate IUPAC Name: calcium 5-ethoxy-2-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate Traditional Name: calcium 5-ethoxy-2-[(N'Z)-N'-(2-keto-1-naphthylidene)hydrazino]besylate Formula: C36H30CaN4O10S2 MolecularWeight: 782.8522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32)S(=O)(=O)[O-].CCOC1=CC(=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32)S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CCOC1=CC(=C(C=C1)N/N=C\2/C3=CC=CC=C3C=CC2=O)S(=O)(=O)[O-].CCOC1=CC(=C(C=C1)N/N=C\2/C3=CC=CC=C3C=CC2=O)S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/2C18H16N2O5S.Ca/c2*1-2-25-13-8-9-15(17(11-13)26(22,23)24)19-20-18-14-6-4-3-5-12(14)7-10-16(18)21;/h2*3-11,19H,2H2,1H3,(H,22,23,24);/q;;+2/p-2/b2*20-18-;