sodium 3-[(4-dodecanoyloxynaphthalen-1-yl)diazenyl]benzenesulfonate

Systemtic Name: sodium 3-[(4-dodecanoyloxynaphthalen-1-yl)diazenyl]benzenesulfonate Openeye Name: sodium 3-[(4-dodecanoyloxy-1-naphthyl)azo]benzenesulfonate CAS Name: sodium 3-[[4-(1-oxododecoxy)-1-naphthalenyl]azo]benzenesulfonate IUPAC Name: sodium 3-[(4-dodecanoyloxynaphthalen-1-yl)diazenyl]benzenesulfonate Traditional Name: sodium 3-[(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(=CC=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

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

InChI

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