1-[4-[3-(4-methylphenyl)sulfanylpropoxy]-2-oxidanyl-3-propyl-phenyl]ethanone; 6-oxidanylidenehexanoic acid

Systemtic Name: 1-[4-[3-(4-methylphenyl)sulfanylpropoxy]-2-oxidanyl-3-propyl-phenyl]ethanone; 6-oxidanylidenehexanoic acid Openeye Name: 1-[2-hydroxy-3-propyl-4-[3-(p-tolylsulfanyl)propoxy]phenyl]ethanone; 6-oxohexanoic acid CAS Name: 1-[2-hydroxy-4-[3-[(4-methylphenyl)thio]propoxy]-3-propylphenyl]ethanone; 6-oxohexanoic acid IUPAC Name: 1-[2-hydroxy-4-[3-(4-methylphenyl)sulfanylpropoxy]-3-propylphenyl]ethanone; 6-oxohexanoic acid Traditional Name: 1-[2-hydroxy-3-propyl-4-[3-(p-tolylthio)propoxy]phenyl]ethanone; 6-ketohexanoic acid Formula: C27H36O6S MolecularWeight: 488.63614

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=CC=C(C=C2)C.C(CCC(=O)O)CC=O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=CC=C(C=C2)C.C(CCC(=O)O)CC=O

InChI

InChI=1S/C21H26O3S.C6H10O3/c1-4-6-19-20(12-11-18(16(3)22)21(19)23)24-13-5-14-25-17-9-7-15(2)8-10-17;7-5-3-1-2-4-6(8)9/h7-12,23H,4-6,13-14H2,1-3H3;5H,1-4H2,(H,8,9)