2-[3-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]phenyl]-3-oxidanylidene-1-phenyl-propyl]sulfanylethanoic acid

Systemtic Name: 2-[3-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]phenyl]-3-oxidanylidene-1-phenyl-propyl]sulfanylethanoic acid Openeye Name: 2-[3-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]phenyl]-3-oxo-1-phenyl-propyl]sulfanylacetic acid CAS Name: 2-[[3-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenyl]-3-oxo-1-phenylpropyl]thio]acetic acid IUPAC Name: 2-[3-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenyl]-3-oxo-1-phenylpropyl]sulfanylacetic acid Traditional Name: 2-[[3-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]phenyl]-3-keto-1-phenyl-propyl]thio]acetic acid Formula: C31H34O7S MolecularWeight: 550.66246

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=CC=C(C=C2)C(=O)CC(C3=CC=CC=C3)SCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=CC=C(C=C2)C(=O)CC(C3=CC=CC=C3)SCC(=O)O

InChI

InChI=1S/C31H34O7S/c1-3-8-26-28(16-15-25(21(2)32)31(26)36)38-18-7-17-37-24-13-11-22(12-14-24)27(33)19-29(39-20-30(34)35)23-9-5-4-6-10-23/h4-6,9-16,29,36H,3,7-8,17-20H2,1-2H3,(H,34,35)