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

Systemtic Name: sodium 4-[(4-hexadecanoyloxynaphthalen-1-yl)diazenyl]benzenesulfonate Openeye Name: sodium 4-[(4-hexadecanoyloxy-1-naphthyl)azo]benzenesulfonate CAS Name: sodium 4-[[4-(1-oxohexadecoxy)-1-naphthalenyl]azo]benzenesulfonate IUPAC Name: sodium 4-[(4-hexadecanoyloxynaphthalen-1-yl)diazenyl]benzenesulfonate Traditional Name: sodium 4-[(4-hexadecanoyloxy-1-naphthyl)azo]besylate Formula: C32H41N2NaO5S MolecularWeight: 588.73311

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H42N2O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-32(35)39-31-25-24-30(28-17-15-16-18-29(28)31)34-33-26-20-22-27(23-21-26)40(36,37)38;/h15-18,20-25H,2-14,19H2,1H3,(H,36,37,38);/q;+1/p-1