4-[3-[5-(4,4-dimethyl-3-oxidanylidene-pentyl)-4-methyl-thiophen-2-yl]pentan-3-yl]-2-methyl-benzoic acid

Systemtic Name: 4-[3-[5-(4,4-dimethyl-3-oxidanylidene-pentyl)-4-methyl-thiophen-2-yl]pentan-3-yl]-2-methyl-benzoic acid Openeye Name: 4-[1-[5-(4,4-dimethyl-3-oxo-pentyl)-4-methyl-2-thienyl]-1-ethyl-propyl]-2-methyl-benzoic acid CAS Name: 4-[3-[5-(4,4-dimethyl-3-oxopentyl)-4-methyl-2-thiophenyl]pentan-3-yl]-2-methylbenzoic acid IUPAC Name: 4-[3-[5-(4,4-dimethyl-3-oxopentyl)-4-methylthiophen-2-yl]pentan-3-yl]-2-methylbenzoic acid Traditional Name: 4-[1-ethyl-1-[5-(3-keto-4,4-dimethyl-pentyl)-4-methyl-2-thienyl]propyl]-2-methyl-benzoic acid Formula: C25H34O3S MolecularWeight: 414.60066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C=C1)C(=O)O)C)C2=CC(=C(S2)CCC(=O)C(C)(C)C)C

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1)C(=O)O)C)C2=CC(=C(S2)CCC(=O)C(C)(C)C)C

InChI

InChI=1S/C25H34O3S/c1-8-25(9-2,18-10-11-19(23(27)28)16(3)14-18)22-15-17(4)20(29-22)12-13-21(26)24(5,6)7/h10-11,14-15H,8-9,12-13H2,1-7H3,(H,27,28)