methyl 2-[3-chloranyl-4-[3-(4-phenoxy-2-propyl-phenoxy)propylsulfanyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-chloranyl-4-[3-(4-phenoxy-2-propyl-phenoxy)propylsulfanyl]phenyl]ethanoate Openeye Name: methyl 2-[3-chloro-4-[3-(4-phenoxy-2-propyl-phenoxy)propylsulfanyl]phenyl]acetate CAS Name: 2-[3-chloro-4-[3-(4-phenoxy-2-propylphenoxy)propylthio]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-chloro-4-[3-(4-phenoxy-2-propylphenoxy)propylsulfanyl]phenyl]acetate Traditional Name: 2-[3-chloro-4-[3-(4-phenoxy-2-propyl-phenoxy)propylthio]phenyl]acetic acid methyl ester Formula: C27H29ClO4S MolecularWeight: 485.03476

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCSC3=C(C=C(C=C3)CC(=O)OC)Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCSC3=C(C=C(C=C3)CC(=O)OC)Cl

InChI

InChI=1S/C27H29ClO4S/c1-3-8-21-19-23(32-22-9-5-4-6-10-22)12-13-25(21)31-15-7-16-33-26-14-11-20(17-24(26)28)18-27(29)30-2/h4-6,9-14,17,19H,3,7-8,15-16,18H2,1-2H3