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

Systemtic Name: 2-methyl-4-[3-[4-methyl-5-(2,4,4-trimethyl-3-oxidanylidene-pentyl)thiophen-2-yl]pentan-3-yl]benzoic acid Openeye Name: 4-[1-ethyl-1-[4-methyl-5-(2,4,4-trimethyl-3-oxo-pentyl)-2-thienyl]propyl]-2-methyl-benzoic acid CAS Name: 2-methyl-4-[3-[4-methyl-5-(2,4,4-trimethyl-3-oxopentyl)-2-thiophenyl]pentan-3-yl]benzoic acid IUPAC Name: 2-methyl-4-[3-[4-methyl-5-(2,4,4-trimethyl-3-oxopentyl)thiophen-2-yl]pentan-3-yl]benzoic acid Traditional Name: 4-[1-ethyl-1-[5-(3-keto-2,4,4-trimethyl-pentyl)-4-methyl-2-thienyl]propyl]-2-methyl-benzoic acid Formula: C26H36O3S MolecularWeight: 428.62724

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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)CC(C)C(=O)C(C)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H36O3S/c1-9-26(10-2,19-11-12-20(24(28)29)16(3)13-19)22-15-17(4)21(30-22)14-18(5)23(27)25(6,7)8/h11-13,15,18H,9-10,14H2,1-8H3,(H,28,29)