calcium 2-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]naphthalene-1,5-disulfonate

Systemtic Name: calcium 2-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]naphthalene-1,5-disulfonate Openeye Name: calcium 2-[(2E)-2-(2-oxo-1-naphthylidene)hydrazino]naphthalene-1,5-disulfonate CAS Name: calcium 2-[(2E)-2-(2-oxo-1-naphthalenylidene)hydrazinyl]naphthalene-1,5-disulfonate IUPAC Name: calcium 2-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]naphthalene-1,5-disulfonate Traditional Name: calcium 2-[(N'E)-N'-(2-keto-1-naphthylidene)hydrazino]naphthalene-1,5-disulfonate Formula: C20H12CaN2O7S2 MolecularWeight: 496.52648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=O)C2=NNC3=C(C4=C(C=C3)C(=CC=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC=C\2C(=C1)C=CC(=O)/C2=N/NC3=C(C4=C(C=C3)C(=CC=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/C20H14N2O7S2.Ca/c23-17-11-8-12-4-1-2-5-13(12)19(17)22-21-16-10-9-14-15(20(16)31(27,28)29)6-3-7-18(14)30(24,25)26;/h1-11,21H,(H,24,25,26)(H,27,28,29);/q;+2/p-2/b22-19+;