calcium 4-chloranyl-5-methyl-2-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]benzenesulfonate

Systemtic Name: calcium 4-chloranyl-5-methyl-2-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]benzenesulfonate Openeye Name: calcium 4-chloro-5-methyl-2-[(2E)-2-(2-oxo-1-naphthylidene)hydrazino]benzenesulfonate CAS Name: calcium 4-chloro-5-methyl-2-[(2E)-2-(2-oxo-1-naphthalenylidene)hydrazinyl]benzenesulfonate IUPAC Name: calcium 4-chloro-5-methyl-2-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate Traditional Name: calcium 4-chloro-2-[(N'E)-N'-(2-keto-1-naphthylidene)hydrazino]-5-methyl-besylate Formula: C34H24CaCl2N4O8S2 MolecularWeight: 791.69036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)NN=C2C(=O)C=CC3=CC=CC=C32)S(=O)(=O)[O-].CC1=CC(=C(C=C1Cl)NN=C2C(=O)C=CC3=CC=CC=C32)S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)N/N=C/2\C3=CC=CC=C3C=CC2=O)S(=O)(=O)[O-].CC1=CC(=C(C=C1Cl)N/N=C/2\C3=CC=CC=C3C=CC2=O)S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/2C17H13ClN2O4S.Ca/c2*1-10-8-16(25(22,23)24)14(9-13(10)18)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2*2-9,19H,1H3,(H,22,23,24);/q;;+2/p-2/b2*20-17+;