methyl 2-hexylsulfanyl-2-(3-phenoxyphenyl)ethanoate

Systemtic Name: methyl 2-hexylsulfanyl-2-(3-phenoxyphenyl)ethanoate Openeye Name: methyl 2-hexylsulfanyl-2-(3-phenoxyphenyl)acetate CAS Name: 2-(hexylthio)-2-(3-phenoxyphenyl)acetic acid methyl ester IUPAC Name: methyl 2-hexylsulfanyl-2-(3-phenoxyphenyl)acetate Traditional Name: 2-(hexylthio)-2-(3-phenoxyphenyl)acetic acid methyl ester Formula: C21H26O3S MolecularWeight: 358.49434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCCCCSC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H26O3S/c1-3-4-5-9-15-25-20(21(22)23-2)17-11-10-14-19(16-17)24-18-12-7-6-8-13-18/h6-8,10-14,16,20H,3-5,9,15H2,1-2H3