3-methylbutyl 3-[5-(3-methylbutoxycarbonyl)-2-oxidanyl-phenyl]sulfanyl-4-oxidanyl-benzoate

Systemtic Name: 3-methylbutyl 3-[5-(3-methylbutoxycarbonyl)-2-oxidanyl-phenyl]sulfanyl-4-oxidanyl-benzoate Openeye Name: isopentyl 4-hydroxy-3-(2-hydroxy-5-isopentyloxycarbonyl-phenyl)sulfanyl-benzoate CAS Name: 4-hydroxy-3-[[2-hydroxy-5-[3-methylbutoxy(oxo)methyl]phenyl]thio]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-hydroxy-3-[2-hydroxy-5-(3-methylbutoxycarbonyl)phenyl]sulfanylbenzoate Traditional Name: 4-hydroxy-3-[(2-hydroxy-5-isoamoxycarbonyl-phenyl)thio]benzoic acid isoamyl ester Formula: C24H30O6S MolecularWeight: 446.5564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OCCC(C)C)O

Isomeric SMILES

CC(C)CCOC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OCCC(C)C)O

InChI

InChI=1S/C24H30O6S/c1-15(2)9-11-29-23(27)17-5-7-19(25)21(13-17)31-22-14-18(6-8-20(22)26)24(28)30-12-10-16(3)4/h5-8,13-16,25-26H,9-12H2,1-4H3