sodium 4-[(4-octanoyloxynaphthalen-1-yl)diazenyl]benzenesulfonate

Systemtic Name: sodium 4-[(4-octanoyloxynaphthalen-1-yl)diazenyl]benzenesulfonate Openeye Name: sodium 4-[(4-octanoyloxy-1-naphthyl)azo]benzenesulfonate CAS Name: sodium 4-[[4-(1-oxooctoxy)-1-naphthalenyl]azo]benzenesulfonate IUPAC Name: sodium 4-[(4-octanoyloxynaphthalen-1-yl)diazenyl]benzenesulfonate Traditional Name: sodium 4-[(4-caprylyloxy-1-naphthyl)azo]besylate Formula: C24H25N2NaO5S MolecularWeight: 476.52047

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C2=CC=CC=C21)N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C2=CC=CC=C21)N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C24H26N2O5S.Na/c1-2-3-4-5-6-11-24(27)31-23-17-16-22(20-9-7-8-10-21(20)23)26-25-18-12-14-19(15-13-18)32(28,29)30;/h7-10,12-17H,2-6,11H2,1H3,(H,28,29,30);/q;+1/p-1