3-methyl-5-[3-[3-methyl-4-(2,4,4-trimethyl-3-oxidanylidene-pentyl)phenyl]pentan-3-yl]thiophene-2-carboxylic acid

Systemtic Name: 3-methyl-5-[3-[3-methyl-4-(2,4,4-trimethyl-3-oxidanylidene-pentyl)phenyl]pentan-3-yl]thiophene-2-carboxylic acid Openeye Name: 5-[1-ethyl-1-[3-methyl-4-(2,4,4-trimethyl-3-oxo-pentyl)phenyl]propyl]-3-methyl-thiophene-2-carboxylic acid CAS Name: 3-methyl-5-[3-[3-methyl-4-(2,4,4-trimethyl-3-oxopentyl)phenyl]pentan-3-yl]-2-thiophenecarboxylic acid IUPAC Name: 3-methyl-5-[3-[3-methyl-4-(2,4,4-trimethyl-3-oxopentyl)phenyl]pentan-3-yl]thiophene-2-carboxylic acid Traditional Name: 5-[1-ethyl-1-[4-(3-keto-2,4,4-trimethyl-pentyl)-3-methyl-phenyl]propyl]-3-methyl-2-thenoic acid Formula: C26H36O3S MolecularWeight: 428.62724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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