5-[4-(2-methylpropanoyloxy)-6-oxidanylidene-2-phenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-2-yl]pentanoic acid

Systemtic Name: 5-[4-(2-methylpropanoyloxy)-6-oxidanylidene-2-phenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-2-yl]pentanoic acid Openeye Name: 5-[5-(2-isopropylphenyl)sulfanyl-4-(2-methylpropanoyloxy)-6-oxo-2-phenyl-3H-pyran-2-yl]pentanoic acid CAS Name: 5-[4-(2-methyl-1-oxopropoxy)-6-oxo-2-phenyl-5-[(2-propan-2-ylphenyl)thio]-3H-pyran-2-yl]pentanoic acid IUPAC Name: 5-[4-(2-methylpropanoyloxy)-6-oxo-2-phenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-2-yl]pentanoic acid Traditional Name: 5-[4-isobutyryloxy-6-keto-5-(o-cumenylthio)-2-phenyl-3H-pyran-2-yl]valeric acid Formula: C29H34O6S MolecularWeight: 510.64166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(CC(OC2=O)(CCCCC(=O)O)C3=CC=CC=C3)OC(=O)C(C)C

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(CC(OC2=O)(CCCCC(=O)O)C3=CC=CC=C3)OC(=O)C(C)C

InChI

InChI=1S/C29H34O6S/c1-19(2)22-14-8-9-15-24(22)36-26-23(34-27(32)20(3)4)18-29(35-28(26)33,17-11-10-16-25(30)31)21-12-6-5-7-13-21/h5-9,12-15,19-20H,10-11,16-18H2,1-4H3,(H,30,31)