methylsulfanyl 6-[4-[chloranyl-bis(4-methoxyphenyl)methyl]phenoxy]hexanoate

Systemtic Name: methylsulfanyl 6-[4-[chloranyl-bis(4-methoxyphenyl)methyl]phenoxy]hexanoate Openeye Name: methylsulfanyl 6-[4-[chloro-bis(4-methoxyphenyl)methyl]phenoxy]hexanoate CAS Name: 6-[4-[chloro-bis(4-methoxyphenyl)methyl]phenoxy]hexanoic acid (methylthio) ester IUPAC Name: methylsulfanyl 6-[4-[chloro-bis(4-methoxyphenyl)methyl]phenoxy]hexanoate Traditional Name: 6-[4-[chloro-bis(4-methoxyphenyl)methyl]phenoxy]hexanoic acid (methylthio) ester Formula: C28H31ClO5S MolecularWeight: 515.06074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OCCCCCC(=O)OSC)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OCCCCCC(=O)OSC)Cl

InChI

InChI=1S/C28H31ClO5S/c1-31-24-14-8-21(9-15-24)28(29,22-10-16-25(32-2)17-11-22)23-12-18-26(19-13-23)33-20-6-4-5-7-27(30)34-35-3/h8-19H,4-7,20H2,1-3H3