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

Systemtic Name: calcium 5-methyl-2-[(2Z)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]benzenesulfonate Openeye Name: calcium 5-methyl-2-[(2Z)-2-(2-oxo-1-naphthylidene)hydrazino]benzenesulfonate CAS Name: calcium 5-methyl-2-[(2Z)-2-(2-oxo-1-naphthalenylidene)hydrazinyl]benzenesulfonate IUPAC Name: calcium 5-methyl-2-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate Traditional Name: calcium 2-[(N'Z)-N'-(2-keto-1-naphthylidene)hydrazino]-5-methyl-besylate Formula: C34H26CaN4O8S2 MolecularWeight: 722.80024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32)S(=O)(=O)[O-].CC1=CC(=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32)S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CC1=CC(=C(C=C1)N/N=C\2/C3=CC=CC=C3C=CC2=O)S(=O)(=O)[O-].CC1=CC(=C(C=C1)N/N=C\2/C3=CC=CC=C3C=CC2=O)S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/2C17H14N2O4S.Ca/c2*1-11-6-8-14(16(10-11)24(21,22)23)18-19-17-13-5-3-2-4-12(13)7-9-15(17)20;/h2*2-10,18H,1H3,(H,21,22,23);/q;;+2/p-2/b2*19-17-;