[(3S)-3-(3-bromanyl-5-methyl-4-oxidanyl-phenyl)-6-methyl-5,6-bis(oxidanyl)heptyl] ethanoate

Systemtic Name: [(3S)-3-(3-bromanyl-5-methyl-4-oxidanyl-phenyl)-6-methyl-5,6-bis(oxidanyl)heptyl] ethanoate Openeye Name: [(3S)-3-(3-bromo-4-hydroxy-5-methyl-phenyl)-5,6-dihydroxy-6-methyl-heptyl] acetate CAS Name: acetic acid [(3S)-3-(3-bromo-4-hydroxy-5-methylphenyl)-5,6-dihydroxy-6-methylheptyl] ester IUPAC Name: [(3S)-3-(3-bromo-4-hydroxy-5-methylphenyl)-5,6-dihydroxy-6-methylheptyl] acetate Traditional Name: acetic acid [(3S)-3-(3-bromo-4-hydroxy-5-methyl-phenyl)-5,6-dihydroxy-6-methyl-heptyl] ester Formula: C17H25BrO5 MolecularWeight: 389.2814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(CCOC(=O)C)CC(C(C)(C)O)O)Br)O

Isomeric SMILES

CC1=C(C(=CC(=C1)[C@@H](CCOC(=O)C)CC(C(C)(C)O)O)Br)O

InChI

InChI=1S/C17H25BrO5/c1-10-7-13(8-14(18)16(10)21)12(5-6-23-11(2)19)9-15(20)17(3,4)22/h7-8,12,15,20-22H,5-6,9H2,1-4H3/t12-,15?/m0/s1