3-[1-(3-cyclopentyl-2-dodecoxy-phenyl)-2,3-bis(oxidanyl)propyl]sulfanylpropanoic acid

Systemtic Name: 3-[1-(3-cyclopentyl-2-dodecoxy-phenyl)-2,3-bis(oxidanyl)propyl]sulfanylpropanoic acid Openeye Name: 3-[1-(3-cyclopentyl-2-dodecoxy-phenyl)-2,3-dihydroxy-propyl]sulfanylpropanoic acid CAS Name: 3-[[1-(3-cyclopentyl-2-dodecoxyphenyl)-2,3-dihydroxypropyl]thio]propanoic acid IUPAC Name: 3-[1-(3-cyclopentyl-2-dodecoxyphenyl)-2,3-dihydroxypropyl]sulfanylpropanoic acid Traditional Name: 3-[[1-(3-cyclopentyl-2-lauryloxy-phenyl)-2,3-dihydroxy-propyl]thio]propionic acid Formula: C29H48O5S MolecularWeight: 508.75342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=CC=C1C(C(CO)O)SCCC(=O)O)C2CCCC2

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=CC=C1C(C(CO)O)SCCC(=O)O)C2CCCC2

InChI

InChI=1S/C29H48O5S/c1-2-3-4-5-6-7-8-9-10-13-20-34-28-24(23-15-11-12-16-23)17-14-18-25(28)29(26(31)22-30)35-21-19-27(32)33/h14,17-18,23,26,29-31H,2-13,15-16,19-22H2,1H3,(H,32,33)