2-[5-methyl-5-[3-(4-phenoxy-2-propyl-phenoxy)propylsulfanyl]cyclohexa-1,3-dien-1-yl]ethanoic acid

Systemtic Name: 2-[5-methyl-5-[3-(4-phenoxy-2-propyl-phenoxy)propylsulfanyl]cyclohexa-1,3-dien-1-yl]ethanoic acid Openeye Name: 2-[5-methyl-5-[3-(4-phenoxy-2-propyl-phenoxy)propylsulfanyl]cyclohexa-1,3-dien-1-yl]acetic acid CAS Name: 2-[5-methyl-5-[3-(4-phenoxy-2-propylphenoxy)propylthio]-1-cyclohexa-1,3-dienyl]acetic acid IUPAC Name: 2-[5-methyl-5-[3-(4-phenoxy-2-propylphenoxy)propylsulfanyl]cyclohexa-1,3-dien-1-yl]acetic acid Traditional Name: 2-[5-methyl-5-[3-(4-phenoxy-2-propyl-phenoxy)propylthio]cyclohexa-1,3-dien-1-yl]acetic acid Formula: C27H32O4S MolecularWeight: 452.60558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32O4S/c1-3-9-22-19-24(31-23-11-5-4-6-12-23)13-14-25(22)30-16-8-17-32-27(2)15-7-10-21(20-27)18-26(28)29/h4-7,10-15,19H,3,8-9,16-18,20H2,1-2H3,(H,28,29)