[9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium; chromium(2+); 4-[(3-methyl-5-oxidanidyl-1-phenyl-pyrazol-4-yl)diazenyl]-3-oxidanidyl-naphthalene-1-sulfonate

Systemtic Name: [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium; chromium(2+); 4-[(3-methyl-5-oxidanidyl-1-phenyl-pyrazol-4-yl)diazenyl]-3-oxidanidyl-naphthalene-1-sulfonate Openeye Name: chromous; [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium; 4-(3-methyl-5-oxido-1-phenyl-pyrazol-4-yl)azo-3-oxido-naphthalene-1-sulfonate CAS Name: [9-(2-carboxyphenyl)-6-(diethylamino)-3-xanthenylidene]-diethylammonium; chromium(2+); 4-[(3-methyl-5-oxido-1-phenyl-4-pyrazolyl)azo]-3-oxido-1-naphthalenesulfonate IUPAC Name: [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium; chromium(2+); 4-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-3-oxidonaphthalene-1-sulfonate Traditional Name: chromous; [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium; 4-(3-methyl-5-oxido-1-phenyl-pyrazol-4-yl)azo-3-oxido-naphthalene-1-sulfonate Formula: C48H44CrN6O8S MolecularWeight: 916.95946

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.CC1=NN(C(=C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])[O-])[O-])C4=CC=CC=C4.[Cr+2]

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.CC1=NN(C(=C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])[O-])[O-])C4=CC=CC=C4.[Cr+2]

InChI

InChI=1S/C28H30N2O3.C20H16N4O5S.Cr/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;1-12-18(20(26)24(23-12)13-7-3-2-4-8-13)21-22-19-15-10-6-5-9-14(15)17(11-16(19)25)30(27,28)29;/h9-18H,5-8H2,1-4H3;2-11,25-26H,1H3,(H,27,28,29);/q;;+2/p-2