disodium 3-[3-carboxy-5-oxidanylidene-4-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-4H-pyrazol-1-yl]benzenesulfonate

Systemtic Name: disodium 3-[3-carboxy-5-oxidanylidene-4-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-4H-pyrazol-1-yl]benzenesulfonate Openeye Name: disodium 3-[3-carboxy-5-oxo-4-[4-(2-sulfonatooxyethylsulfonyl)phenyl]azo-4H-pyrazol-1-yl]benzenesulfonate CAS Name: disodium 3-[3-carboxy-5-oxo-4-[4-(2-sulfonatooxyethylsulfonyl)phenyl]azo-4H-pyrazol-1-yl]benzenesulfonate IUPAC Name: disodium 3-[3-carboxy-5-oxo-4-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-4H-pyrazol-1-yl]benzenesulfonate Traditional Name: disodium 3-[3-carboxy-5-keto-4-[4-(2-sulfatoethylsulfonyl)phenyl]azo-2-pyrazolin-1-yl]besylate Formula: C18H14N4Na2O12S3 MolecularWeight: 620.4979

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])N2C(=O)C(C(=N2)C(=O)O)N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])N2C(=O)C(C(=N2)C(=O)O)N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H16N4O12S3.2Na/c23-17-15(16(18(24)25)21-22(17)12-2-1-3-14(10-12)36(28,29)30)20-19-11-4-6-13(7-5-11)35(26,27)9-8-34-37(31,32)33;;/h1-7,10,15H,8-9H2,(H,24,25)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2