methyl 5-oxidanyl-5-[5-[(1E,3E)-5-oxidanyltrideca-1,3-dienyl]thiophen-2-yl]pentanoate

Systemtic Name: methyl 5-oxidanyl-5-[5-[(1E,3E)-5-oxidanyltrideca-1,3-dienyl]thiophen-2-yl]pentanoate Openeye Name: methyl 5-hydroxy-5-[5-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]-2-thienyl]pentanoate CAS Name: 5-hydroxy-5-[5-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]-2-thiophenyl]pentanoic acid methyl ester IUPAC Name: methyl 5-hydroxy-5-[5-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]thiophen-2-yl]pentanoate Traditional Name: 5-hydroxy-5-[5-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]-2-thienyl]valeric acid methyl ester Formula: C23H36O4S MolecularWeight: 408.59454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CC=CC1=CC=C(S1)C(CCCC(=O)OC)O)O

Isomeric SMILES

CCCCCCCCC(/C=C/C=C/C1=CC=C(S1)C(CCCC(=O)OC)O)O

InChI

InChI=1S/C23H36O4S/c1-3-4-5-6-7-8-12-19(24)13-9-10-14-20-17-18-22(28-20)21(25)15-11-16-23(26)27-2/h9-10,13-14,17-19,21,24-25H,3-8,11-12,15-16H2,1-2H3/b13-9+,14-10+