[4-chloranyl-3-[[2-chloranyl-3-(4-methoxyphenyl)-3-oxidanylidene-propanoyl]amino]phenyl] dodecane-1-sulfonate

Systemtic Name: [4-chloranyl-3-[[2-chloranyl-3-(4-methoxyphenyl)-3-oxidanylidene-propanoyl]amino]phenyl] dodecane-1-sulfonate Openeye Name: [4-chloro-3-[[2-chloro-3-(4-methoxyphenyl)-3-oxo-propanoyl]amino]phenyl] dodecane-1-sulfonate CAS Name: 1-dodecanesulfonic acid IUPAC Name: [4-chloro-3-[[2-chloro-3-(4-methoxyphenyl)-3-oxopropanoyl]amino]phenyl] dodecane-1-sulfonate Traditional Name: dodecane-1-sulfonic acid [4-chloro-3-[[2-chloro-3-keto-3-(4-methoxyphenyl)propanoyl]amino]phenyl] ester Formula: C28H37Cl2NO6S MolecularWeight: 586.56748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)OC1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C2=CC=C(C=C2)OC)Cl

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)OC1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C2=CC=C(C=C2)OC)Cl

InChI

InChI=1S/C28H37Cl2NO6S/c1-3-4-5-6-7-8-9-10-11-12-19-38(34,35)37-23-17-18-24(29)25(20-23)31-28(33)26(30)27(32)21-13-15-22(36-2)16-14-21/h13-18,20,26H,3-12,19H2,1-2H3,(H,31,33)