disodium 5-[3-heptadecyl-5-oxidanylidene-4-[(4-sulfonatophenyl)diazenyl]-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonate

Systemtic Name: disodium 5-[3-heptadecyl-5-oxidanylidene-4-[(4-sulfonatophenyl)diazenyl]-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonate Openeye Name: disodium 5-[3-heptadecyl-5-oxo-4-(4-sulfonatophenyl)azo-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonate CAS Name: disodium 5-[3-heptadecyl-5-oxo-4-(4-sulfonatophenyl)azo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonate IUPAC Name: disodium 5-[3-heptadecyl-5-oxo-4-[(4-sulfonatophenyl)diazenyl]-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonate Traditional Name: disodium 5-[3-heptadecyl-5-keto-4-(4-sulfonatophenyl)azo-2-pyrazolin-1-yl]-2-phenoxy-besylate Formula: C38H48N4Na2O8S2 MolecularWeight: 798.91926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C38H50N4O8S2.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-34-37(40-39-30-23-26-33(27-24-30)51(44,45)46)38(43)42(41-34)31-25-28-35(36(29-31)52(47,48)49)50-32-20-17-16-18-21-32;;/h16-18,20-21,23-29,37H,2-15,19,22H2,1H3,(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2