5-[3-[4-(3-ethyl-3-oxidanyl-pent-1-ynyl)-3-methyl-phenyl]pentan-3-yl]-3-methyl-thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[4-(3-ethyl-3-oxidanyl-pent-1-ynyl)-3-methyl-phenyl]pentan-3-yl]-3-methyl-thiophene-2-carboxylic acid Openeye Name: 5-[1-ethyl-1-[4-(3-ethyl-3-hydroxy-pent-1-ynyl)-3-methyl-phenyl]propyl]-3-methyl-thiophene-2-carboxylic acid CAS Name: 5-[3-[4-(3-ethyl-3-hydroxypent-1-ynyl)-3-methylphenyl]pentan-3-yl]-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[4-(3-ethyl-3-hydroxypent-1-ynyl)-3-methylphenyl]pentan-3-yl]-3-methylthiophene-2-carboxylic acid Traditional Name: 5-[1-ethyl-1-[4-(3-ethyl-3-hydroxy-pent-1-ynyl)-3-methyl-phenyl]propyl]-3-methyl-2-thenoic acid Formula: C25H32O3S MolecularWeight: 412.58478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#CC1=C(C=C(C=C1)C(CC)(CC)C2=CC(=C(S2)C(=O)O)C)C)O

Isomeric SMILES

CCC(CC)(C#CC1=C(C=C(C=C1)C(CC)(CC)C2=CC(=C(S2)C(=O)O)C)C)O

InChI

InChI=1S/C25H32O3S/c1-7-24(28,8-2)14-13-19-11-12-20(15-17(19)5)25(9-3,10-4)21-16-18(6)22(29-21)23(26)27/h11-12,15-16,28H,7-10H2,1-6H3,(H,26,27)