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

Systemtic Name: sodium 4-[(4-dodecoxynaphthalen-1-yl)diazenyl]benzenesulfonate Openeye Name: sodium 4-[(4-dodecoxy-1-naphthyl)azo]benzenesulfonate CAS Name: sodium 4-[(4-dodecoxy-1-naphthalenyl)azo]benzenesulfonate IUPAC Name: sodium 4-[(4-dodecoxynaphthalen-1-yl)diazenyl]benzenesulfonate Traditional Name: sodium 4-[(4-lauryloxy-1-naphthyl)azo]besylate Formula: C28H35N2NaO4S MolecularWeight: 518.64327

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C2=CC=CC=C21)N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C2=CC=CC=C21)N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C28H36N2O4S.Na/c1-2-3-4-5-6-7-8-9-10-13-22-34-28-21-20-27(25-14-11-12-15-26(25)28)30-29-23-16-18-24(19-17-23)35(31,32)33;/h11-12,14-21H,2-10,13,22H2,1H3,(H,31,32,33);/q;+1/p-1