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

Systemtic Name: 2-[5-chloranyl-5-[3-(4-phenoxy-2-propyl-phenoxy)propylsulfanyl]cyclohexa-1,3-dien-1-yl]ethanoic acid Openeye Name: 2-[5-chloro-5-[3-(4-phenoxy-2-propyl-phenoxy)propylsulfanyl]cyclohexa-1,3-dien-1-yl]acetic acid CAS Name: 2-[5-chloro-5-[3-(4-phenoxy-2-propylphenoxy)propylthio]-1-cyclohexa-1,3-dienyl]acetic acid IUPAC Name: 2-[5-chloro-5-[3-(4-phenoxy-2-propylphenoxy)propylsulfanyl]cyclohexa-1,3-dien-1-yl]acetic acid Traditional Name: 2-[5-chloro-5-[3-(4-phenoxy-2-propyl-phenoxy)propylthio]cyclohexa-1,3-dien-1-yl]acetic acid Formula: C26H29ClO4S MolecularWeight: 473.02406

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H29ClO4S/c1-2-8-21-18-23(31-22-10-4-3-5-11-22)12-13-24(21)30-15-7-16-32-26(27)14-6-9-20(19-26)17-25(28)29/h3-6,9-14,18H,2,7-8,15-17,19H2,1H3,(H,28,29)