methyl 3-[3-(3-cyclopentyl-2-oct-2-ynoxy-phenyl)-2-oxidanyl-propyl]sulfanylpropanoate

Systemtic Name: methyl 3-[3-(3-cyclopentyl-2-oct-2-ynoxy-phenyl)-2-oxidanyl-propyl]sulfanylpropanoate Openeye Name: methyl 3-[3-(3-cyclopentyl-2-oct-2-ynoxy-phenyl)-2-hydroxy-propyl]sulfanylpropanoate CAS Name: 3-[[3-(3-cyclopentyl-2-oct-2-ynoxyphenyl)-2-hydroxypropyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(3-cyclopentyl-2-oct-2-ynoxyphenyl)-2-hydroxypropyl]sulfanylpropanoate Traditional Name: 3-[[3-(3-cyclopentyl-2-oct-2-ynoxy-phenyl)-2-hydroxy-propyl]thio]propionic acid methyl ester Formula: C26H38O4S MolecularWeight: 446.64252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCOC1=C(C=CC=C1CC(CSCCC(=O)OC)O)C2CCCC2

Isomeric SMILES

CCCCCC#CCOC1=C(C=CC=C1CC(CSCCC(=O)OC)O)C2CCCC2

InChI

InChI=1S/C26H38O4S/c1-3-4-5-6-7-10-17-30-26-22(14-11-15-24(26)21-12-8-9-13-21)19-23(27)20-31-18-16-25(28)29-2/h11,14-15,21,23,27H,3-6,8-9,12-13,16-20H2,1-2H3