calcium (4Z)-4-[(4-ethoxy-2-sulfonato-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: calcium (4Z)-4-[(4-ethoxy-2-sulfonato-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: calcium (4Z)-4-[(4-ethoxy-2-sulfonato-phenyl)hydrazono]-3-oxo-naphthalene-2,7-disulfonate CAS Name: calcium (4Z)-4-[(4-ethoxy-2-sulfonatophenyl)hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate IUPAC Name: calcium (4Z)-4-[(4-ethoxy-2-sulfonatophenyl)hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate Traditional Name: calcium (4Z)-4-[(4-ethoxy-2-sulfonato-phenyl)hydrazono]-3-keto-naphthalene-2,7-disulfonate Formula: C18H13CaN2O11S3- MolecularWeight: 569.57562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NN=C2C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CCOC1=CC(=C(C=C1)N/N=C\2/C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/C18H16N2O11S3.Ca/c1-2-31-11-3-6-14(15(9-11)33(25,26)27)19-20-17-13-5-4-12(32(22,23)24)7-10(13)8-16(18(17)21)34(28,29)30;/h3-9,19H,2H2,1H3,(H,22,23,24)(H,25,26,27)(H,28,29,30);/q;+2/p-3/b20-17-;