2-[5-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-1-oxidanyl-2,3-dihydro-1H-inden-2-yl]ethanoic acid

Systemtic Name: 2-[5-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-1-oxidanyl-2,3-dihydro-1H-inden-2-yl]ethanoic acid Openeye Name: 2-[5-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-1-hydroxy-indan-2-yl]acetic acid CAS Name: 2-[5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetic acid IUPAC Name: 2-[5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetic acid Traditional Name: 2-[5-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-1-hydroxy-indan-2-yl]acetic acid Formula: C25H30O6S MolecularWeight: 458.5671

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=CC3=C(C=C2)C(C(C3)CC(=O)O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=CC3=C(C=C2)C(C(C3)CC(=O)O)O

InChI

InChI=1S/C25H30O6S/c1-3-5-21-22(9-8-19(15(2)26)25(21)30)31-10-4-11-32-18-6-7-20-16(13-18)12-17(24(20)29)14-23(27)28/h6-9,13,17,24,29-30H,3-5,10-12,14H2,1-2H3,(H,27,28)