[4-[(2-carboxy-5-sulfo-phenyl)diazenyl]-5-methyl-2-(2-methyl-4-sulfo-phenyl)-4H-pyrazol-3-ylidene]oxidanium; chromium

Systemtic Name: [4-[(2-carboxy-5-sulfo-phenyl)diazenyl]-5-methyl-2-(2-methyl-4-sulfo-phenyl)-4H-pyrazol-3-ylidene]oxidanium; chromium Openeye Name: [4-(2-carboxy-5-sulfo-phenyl)azo-5-methyl-2-(2-methyl-4-sulfo-phenyl)-4H-pyrazol-3-ylidene]oxonium; chromium CAS Name: [4-(2-carboxy-5-sulfophenyl)azo-5-methyl-2-(2-methyl-4-sulfophenyl)-4H-pyrazol-3-ylidene]oxonium; chromium IUPAC Name: [4-[(2-carboxy-5-sulfophenyl)diazenyl]-5-methyl-2-(2-methyl-4-sulfophenyl)-4H-pyrazol-3-ylidene]oxidanium; chromium Traditional Name: [4-(2-carboxy-5-sulfo-phenyl)azo-5-methyl-2-(2-methyl-4-sulfo-phenyl)-2-pyrazolin-3-ylidene]oxonium; chromium Formula: C18H17CrN4O9S2+ MolecularWeight: 549.47508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)O)N2C(=[OH+])C(C(=N2)C)N=NC3=C(C=CC(=C3)S(=O)(=O)O)C(=O)O.[Cr]

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)O)N2C(=[OH+])C(C(=N2)C)N=NC3=C(C=CC(=C3)S(=O)(=O)O)C(=O)O.[Cr]

InChI

InChI=1S/C18H16N4O9S2.Cr/c1-9-7-11(32(26,27)28)4-6-15(9)22-17(23)16(10(2)21-22)20-19-14-8-12(33(29,30)31)3-5-13(14)18(24)25;/h3-8,16H,1-2H3,(H,24,25)(H,26,27,28)(H,29,30,31);/p+1