3-[2-ethyl-4-[3-(3-ethyl-5,5-dimethyl-6,7-dihydro-4H-2-benzothiophen-1-yl)-3-oxidanylidene-propyl]-6-methyl-phenyl]propanoic acid

Systemtic Name: 3-[2-ethyl-4-[3-(3-ethyl-5,5-dimethyl-6,7-dihydro-4H-2-benzothiophen-1-yl)-3-oxidanylidene-propyl]-6-methyl-phenyl]propanoic acid Openeye Name: 3-[2-ethyl-4-[3-(3-ethyl-5,5-dimethyl-6,7-dihydro-4H-2-benzothiophen-1-yl)-3-oxo-propyl]-6-methyl-phenyl]propanoic acid CAS Name: 3-[2-ethyl-4-[3-(3-ethyl-5,5-dimethyl-6,7-dihydro-4H-2-benzothiophen-1-yl)-3-oxopropyl]-6-methylphenyl]propanoic acid IUPAC Name: 3-[2-ethyl-4-[3-(3-ethyl-5,5-dimethyl-6,7-dihydro-4H-2-benzothiophen-1-yl)-3-oxopropyl]-6-methylphenyl]propanoic acid Traditional Name: 3-[2-ethyl-4-[3-(3-ethyl-5,5-dimethyl-6,7-dihydro-4H-isobenzothiophen-1-yl)-3-keto-propyl]-6-methyl-phenyl]propionic acid Formula: C27H36O3S MolecularWeight: 440.63794

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1CCC(=O)O)C)CCC(=O)C2=C3CCC(CC3=C(S2)CC)(C)C

Isomeric SMILES

CCC1=CC(=CC(=C1CCC(=O)O)C)CCC(=O)C2=C3CCC(CC3=C(S2)CC)(C)C

InChI

InChI=1S/C27H36O3S/c1-6-19-15-18(14-17(3)20(19)9-11-25(29)30)8-10-23(28)26-21-12-13-27(4,5)16-22(21)24(7-2)31-26/h14-15H,6-13,16H2,1-5H3,(H,29,30)