(8-bromanyl-3,3-dimethyl-7-oxidanyl-2,4-dioxaspiro[4.5]decan-9-yl) benzoate

Systemtic Name: (8-bromanyl-3,3-dimethyl-7-oxidanyl-2,4-dioxaspiro[4.5]decan-9-yl) benzoate Openeye Name: (8-bromo-7-hydroxy-3,3-dimethyl-2,4-dioxaspiro[4.5]decan-9-yl) benzoate CAS Name: benzoic acid (8-bromo-7-hydroxy-3,3-dimethyl-2,4-dioxaspiro[4.5]decan-9-yl) ester IUPAC Name: (8-bromo-7-hydroxy-3,3-dimethyl-2,4-dioxaspiro[4.5]decan-9-yl) benzoate Traditional Name: benzoic acid (8-bromo-7-hydroxy-3,3-dimethyl-2,4-dioxaspiro[4.5]decan-9-yl) ester Formula: C17H21BrO5 MolecularWeight: 385.24964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC2(O1)CC(C(C(C2)OC(=O)C3=CC=CC=C3)Br)O)C

Isomeric SMILES

CC1(OCC2(O1)CC(C(C(C2)OC(=O)C3=CC=CC=C3)Br)O)C

InChI

InChI=1S/C17H21BrO5/c1-16(2)21-10-17(23-16)8-12(19)14(18)13(9-17)22-15(20)11-6-4-3-5-7-11/h3-7,12-14,19H,8-10H2,1-2H3