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

Systemtic Name: 2-methyl-4-[3-[4-methyl-5-(3,4,4-trimethyl-3-oxidanyl-pentyl)thiophen-2-yl]pentan-3-yl]benzoic acid Openeye Name: 4-[1-ethyl-1-[5-(3-hydroxy-3,4,4-trimethyl-pentyl)-4-methyl-2-thienyl]propyl]-2-methyl-benzoic acid CAS Name: 4-[3-[5-(3-hydroxy-3,4,4-trimethylpentyl)-4-methyl-2-thiophenyl]pentan-3-yl]-2-methylbenzoic acid IUPAC Name: 4-[3-[5-(3-hydroxy-3,4,4-trimethylpentyl)-4-methylthiophen-2-yl]pentan-3-yl]-2-methylbenzoic acid Traditional Name: 4-[1-ethyl-1-[5-(3-hydroxy-3,4,4-trimethyl-pentyl)-4-methyl-2-thienyl]propyl]-2-methyl-benzoic acid Formula: C26H38O3S MolecularWeight: 430.64312

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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(C)(C(C)(C)C)O)C

Isomeric SMILES

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

InChI

InChI=1S/C26H38O3S/c1-9-26(10-2,19-11-12-20(23(27)28)17(3)15-19)22-16-18(4)21(30-22)13-14-25(8,29)24(5,6)7/h11-12,15-16,29H,9-10,13-14H2,1-8H3,(H,27,28)