(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl 3,5-bis(oxidanyl)heptanoate

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl 3,5-bis(oxidanyl)heptanoate Openeye Name: (3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl 3,5-dihydroxyheptanoate CAS Name: 3,5-dihydroxyheptanoic acid [(3,5-ditert-butyl-4-hydroxyphenyl)thio] ester IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl 3,5-dihydroxyheptanoate Traditional Name: 3,5-dihydroxyenanthic acid [(3,5-ditert-butyl-4-hydroxy-phenyl)thio] ester Formula: C21H34O5S MolecularWeight: 398.55666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(=O)OSC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)O)O

Isomeric SMILES

CCC(CC(CC(=O)OSC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)O)O

InChI

InChI=1S/C21H34O5S/c1-8-13(22)9-14(23)10-18(24)26-27-15-11-16(20(2,3)4)19(25)17(12-15)21(5,6)7/h11-14,22-23,25H,8-10H2,1-7H3