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

Systemtic Name: methyl 2-methyl-4-[3-[4-methyl-5-(2,4,4-trimethyl-3-oxidanyl-pentyl)thiophen-2-yl]pentan-3-yl]benzoate Openeye Name: methyl 4-[1-ethyl-1-[5-(3-hydroxy-2,4,4-trimethyl-pentyl)-4-methyl-2-thienyl]propyl]-2-methyl-benzoate CAS Name: 4-[3-[5-(3-hydroxy-2,4,4-trimethylpentyl)-4-methyl-2-thiophenyl]pentan-3-yl]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 4-[3-[5-(3-hydroxy-2,4,4-trimethylpentyl)-4-methylthiophen-2-yl]pentan-3-yl]-2-methylbenzoate Traditional Name: 4-[1-ethyl-1-[5-(3-hydroxy-2,4,4-trimethyl-pentyl)-4-methyl-2-thienyl]propyl]-2-methyl-benzoic acid methyl ester Formula: C27H40O3S MolecularWeight: 444.6697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40O3S/c1-10-27(11-2,20-12-13-21(17(3)14-20)25(29)30-9)23-16-18(4)22(31-23)15-19(5)24(28)26(6,7)8/h12-14,16,19,24,28H,10-11,15H2,1-9H3