ethyl 5-[5-[3-(3-tert-butyl-4-oxidanyl-phenyl)propanoyl]thiophen-2-yl]-3,3-dimethyl-pentanoate

Systemtic Name: ethyl 5-[5-[3-(3-tert-butyl-4-oxidanyl-phenyl)propanoyl]thiophen-2-yl]-3,3-dimethyl-pentanoate Openeye Name: ethyl 5-[5-[3-(3-tert-butyl-4-hydroxy-phenyl)propanoyl]-2-thienyl]-3,3-dimethyl-pentanoate CAS Name: 5-[5-[3-(3-tert-butyl-4-hydroxyphenyl)-1-oxopropyl]-2-thiophenyl]-3,3-dimethylpentanoic acid ethyl ester IUPAC Name: ethyl 5-[5-[3-(3-tert-butyl-4-hydroxyphenyl)propanoyl]thiophen-2-yl]-3,3-dimethylpentanoate Traditional Name: 5-[5-[3-(3-tert-butyl-4-hydroxy-phenyl)propanoyl]-2-thienyl]-3,3-dimethyl-valeric acid ethyl ester Formula: C26H36O4S MolecularWeight: 444.62664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)(C)CCC1=CC=C(S1)C(=O)CCC2=CC(=C(C=C2)O)C(C)(C)C

Isomeric SMILES

CCOC(=O)CC(C)(C)CCC1=CC=C(S1)C(=O)CCC2=CC(=C(C=C2)O)C(C)(C)C

InChI

InChI=1S/C26H36O4S/c1-7-30-24(29)17-26(5,6)15-14-19-10-13-23(31-19)22(28)12-9-18-8-11-21(27)20(16-18)25(2,3)4/h8,10-11,13,16,27H,7,9,12,14-15,17H2,1-6H3