5-[4-[(4-decylphenyl)diazenyl]phenoxy]pentyl 3,5-bis(sulfanyl)benzoate

Systemtic Name: 5-[4-[(4-decylphenyl)diazenyl]phenoxy]pentyl 3,5-bis(sulfanyl)benzoate Openeye Name: 5-[4-(4-decylphenyl)azophenoxy]pentyl 3,5-bis(sulfanyl)benzoate CAS Name: 3,5-dimercaptobenzoic acid 5-[4-(4-decylphenyl)azophenoxy]pentyl ester IUPAC Name: 5-[4-[(4-decylphenyl)diazenyl]phenoxy]pentyl 3,5-bis(sulfanyl)benzoate Traditional Name: 3,5-dimercaptobenzoic acid 5-[4-(4-decylphenyl)azophenoxy]pentyl ester Formula: C34H44N2O3S2 MolecularWeight: 592.85476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCCCOC(=O)C3=CC(=CC(=C3)S)S

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCCCOC(=O)C3=CC(=CC(=C3)S)S

InChI

InChI=1S/C34H44N2O3S2/c1-2-3-4-5-6-7-8-10-13-27-14-16-29(17-15-27)35-36-30-18-20-31(21-19-30)38-22-11-9-12-23-39-34(37)28-24-32(40)26-33(41)25-28/h14-21,24-26,40-41H,2-13,22-23H2,1H3