4-[[8-methoxy-7-methyl-6-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid

Systemtic Name: 4-[[8-methoxy-7-methyl-6-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid Openeye Name: 4-[[8-methoxy-7-methyl-6-(trioxidanylsulfanyl)-2-naphthyl]azo]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid CAS Name: 4-[[8-methoxy-7-methyl-6-(trioxidanylthio)-2-naphthalenyl]azo]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid IUPAC Name: 4-[[8-methoxy-7-methyl-6-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid Traditional Name: 5-keto-4-[[8-methoxy-7-methyl-6-(trioxidanylthio)-2-naphthyl]azo]-1-(4-sulfophenyl)-2-pyrazoline-3-carboxylic acid Formula: C22H18N4O10S2 MolecularWeight: 562.52912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=C1OC)N=NC3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C(=O)O)SOOO

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=C1OC)N=NC3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C(=O)O)SOOO

InChI

InChI=1S/C22H18N4O10S2/c1-11-17(37-36-35-30)9-12-3-4-13(10-16(12)20(11)34-2)23-24-18-19(22(28)29)25-26(21(18)27)14-5-7-15(8-6-14)38(31,32)33/h3-10,18,30H,1-2H3,(H,28,29)(H,31,32,33)