methyl 6-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfonyl]phenyl]-6-oxidanylidene-hexanoate

Systemtic Name: methyl 6-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfonyl]phenyl]-6-oxidanylidene-hexanoate Openeye Name: methyl 6-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]phenyl]-6-oxo-hexanoate CAS Name: 6-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]phenyl]-6-oxohexanoic acid methyl ester IUPAC Name: methyl 6-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]phenyl]-6-oxohexanoate Traditional Name: 6-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]phenyl]-6-keto-hexanoic acid methyl ester Formula: C27H34O8S MolecularWeight: 518.61906

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCS(=O)(=O)C2=CC=C(C=C2)C(=O)CCCCC(=O)OC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCS(=O)(=O)C2=CC=C(C=C2)C(=O)CCCCC(=O)OC

InChI

InChI=1S/C27H34O8S/c1-4-8-23-25(16-15-22(19(2)28)27(23)31)35-17-7-18-36(32,33)21-13-11-20(12-14-21)24(29)9-5-6-10-26(30)34-3/h11-16,31H,4-10,17-18H2,1-3H3