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

Systemtic Name: sodium 4-[(4-dodecanoyloxynaphthalen-1-yl)diazenyl]benzenesulfonate Openeye Name: sodium 4-[(4-dodecanoyloxy-1-naphthyl)azo]benzenesulfonate CAS Name: sodium 4-[[4-(1-oxododecoxy)-1-naphthalenyl]azo]benzenesulfonate IUPAC Name: sodium 4-[(4-dodecanoyloxynaphthalen-1-yl)diazenyl]benzenesulfonate Traditional Name: sodium 4-[(4-lauroyloxy-1-naphthyl)azo]besylate Formula: C28H33N2NaO5S MolecularWeight: 532.62679

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O5S.Na/c1-2-3-4-5-6-7-8-9-10-15-28(31)35-27-21-20-26(24-13-11-12-14-25(24)27)30-29-22-16-18-23(19-17-22)36(32,33)34;/h11-14,16-21H,2-10,15H2,1H3,(H,32,33,34);/q;+1/p-1