octyl 3-(3,5-ditert-butylphenyl)-2-sulfanyl-propanoate

Systemtic Name: octyl 3-(3,5-ditert-butylphenyl)-2-sulfanyl-propanoate Openeye Name: octyl 3-(3,5-ditert-butylphenyl)-2-sulfanyl-propanoate CAS Name: 3-(3,5-ditert-butylphenyl)-2-mercaptopropanoic acid octyl ester IUPAC Name: octyl 3-(3,5-ditert-butylphenyl)-2-sulfanylpropanoate Traditional Name: 3-(3,5-ditert-butylphenyl)-2-mercapto-propionic acid octyl ester Formula: C25H42O2S MolecularWeight: 406.66478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(CC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)S

Isomeric SMILES

CCCCCCCCOC(=O)C(CC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)S

InChI

InChI=1S/C25H42O2S/c1-8-9-10-11-12-13-14-27-23(26)22(28)17-19-15-20(24(2,3)4)18-21(16-19)25(5,6)7/h15-16,18,22,28H,8-14,17H2,1-7H3