calcium 1-[(2Z)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]naphthalene-2-sulfonate

Systemtic Name: calcium 1-[(2Z)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]naphthalene-2-sulfonate Openeye Name: calcium 1-[(2Z)-2-(2-oxo-1-naphthylidene)hydrazino]naphthalene-2-sulfonate CAS Name: calcium 1-[(2Z)-2-(2-oxo-1-naphthalenylidene)hydrazinyl]-2-naphthalenesulfonate IUPAC Name: calcium 1-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]naphthalene-2-sulfonate Traditional Name: calcium 1-[(N'Z)-N'-(2-keto-1-naphthylidene)hydrazino]naphthalene-2-sulfonate Formula: C40H26CaN4O8S2 MolecularWeight: 794.86444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2NN=C3C(=O)C=CC4=CC=CC=C43)S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC(=C2NN=C3C(=O)C=CC4=CC=CC=C43)S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC=C2C(=C(C=CC2=C1)S(=O)(=O)[O-])N/N=C\3/C4=CC=CC=C4C=CC3=O.C1=CC=C2C(=C(C=CC2=C1)S(=O)(=O)[O-])N/N=C\3/C4=CC=CC=C4C=CC3=O.[Ca+2]

InChI

InChI=1S/2C20H14N2O4S.Ca/c2*23-17-11-9-13-5-1-3-7-15(13)19(17)21-22-20-16-8-4-2-6-14(16)10-12-18(20)27(24,25)26;/h2*1-12,22H,(H,24,25,26);/q;;+2/p-2/b2*21-19-;