disodium 4-[4-[[4-methoxy-3-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate

Systemtic Name: disodium 4-[4-[[4-methoxy-3-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate Openeye Name: disodium 4-[4-[4-methoxy-3-(2-sulfooxyethylsulfonyl)phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate CAS Name: disodium 4-[4-[4-methoxy-3-(2-sulfooxyethylsulfonyl)phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate IUPAC Name: disodium 4-[4-[[4-methoxy-3-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate Traditional Name: disodium 4-[5-keto-4-[4-methoxy-3-(2-sulfoxyethylsulfonyl)phenyl]azo-3-methyl-2-pyrazolin-1-yl]besylate Formula: C19H19N4Na2O11S3+ MolecularWeight: 621.5489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2)OC)S(=O)(=O)CCOS(=O)(=O)O)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2)OC)S(=O)(=O)CCOS(=O)(=O)O)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C19H20N4O11S3.2Na/c1-12-18(19(24)23(22-12)14-4-6-15(7-5-14)36(27,28)29)21-20-13-3-8-16(33-2)17(11-13)35(25,26)10-9-34-37(30,31)32;;/h3-8,11,18H,9-10H2,1-2H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-1