calcium 4-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]naphthalene-2,7-disulfonate

Systemtic Name: calcium 4-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]naphthalene-2,7-disulfonate Openeye Name: calcium 4-[(2E)-2-(2-oxo-1-naphthylidene)hydrazino]naphthalene-2,7-disulfonate CAS Name: calcium 4-[(2E)-2-(2-oxo-1-naphthalenylidene)hydrazinyl]naphthalene-2,7-disulfonate IUPAC Name: calcium 4-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]naphthalene-2,7-disulfonate Traditional Name: calcium 4-[(N'E)-N'-(2-keto-1-naphthylidene)hydrazino]naphthalene-2,7-disulfonate Formula: C20H12CaN2O7S2 MolecularWeight: 496.52648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=O)C2=NNC3=C4C=CC(=CC4=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC=C\2C(=C1)C=CC(=O)/C2=N/NC3=C4C=CC(=CC4=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Ca+2]

InChI

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