3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-cyclohexyl]sulfanyl-2-propanoyl-benzoic acid

Systemtic Name: 3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-cyclohexyl]sulfanyl-2-propanoyl-benzoic acid Openeye Name: 3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-cyclohexyl]sulfanyl-2-propanoyl-benzoic acid CAS Name: 3-[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxycyclohexyl]thio]-2-(1-oxopropyl)benzoic acid IUPAC Name: 3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxycyclohexyl]sulfanyl-2-propanoylbenzoic acid Traditional Name: 3-[[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-cyclohexyl]thio]-2-propionyl-benzoic acid Formula: C27H32O7S MolecularWeight: 500.60378

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OC2CCCC(C2O)SC3=CC=CC(=C3C(=O)CC)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OC2CCCC(C2O)SC3=CC=CC(=C3C(=O)CC)C(=O)O

InChI

InChI=1S/C27H32O7S/c1-4-8-17-20(14-13-16(15(3)28)25(17)30)34-21-10-7-12-23(26(21)31)35-22-11-6-9-18(27(32)33)24(22)19(29)5-2/h6,9,11,13-14,21,23,26,30-31H,4-5,7-8,10,12H2,1-3H3,(H,32,33)