[(5S,8S,8aS)-4-[(4-bromophenyl)carbonyloxymethyl]-2,2,8-trimethyl-3,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]methyl 4-bromanylbenzoate

Systemtic Name: [(5S,8S,8aS)-4-[(4-bromophenyl)carbonyloxymethyl]-2,2,8-trimethyl-3,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]methyl 4-bromanylbenzoate Openeye Name: [(5S,8S,8aS)-4-[(4-bromobenzoyl)oxymethyl]-2,2,8-trimethyl-3,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]methyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(5S,8S,8aS)-4-[[(4-bromophenyl)-oxomethoxy]methyl]-2,2,8-trimethyl-3,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]methyl ester IUPAC Name: [(5S,8S,8aS)-4-[(4-bromobenzoyl)oxymethyl]-2,2,8-trimethyl-3,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]methyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(5S,8S,8aS)-4-[(4-bromobenzoyl)oxymethyl]-2,2,8-trimethyl-3,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]methyl ester Formula: C29H32Br2O4 MolecularWeight: 604.36998

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=C2C1CC(C2)(C)C)COC(=O)C3=CC=C(C=C3)Br)COC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C[C@H]1CC[C@@H](C(=C2[C@H]1CC(C2)(C)C)COC(=O)C3=CC=C(C=C3)Br)COC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C29H32Br2O4/c1-18-4-5-21(16-34-27(32)19-6-10-22(30)11-7-19)26(25-15-29(2,3)14-24(18)25)17-35-28(33)20-8-12-23(31)13-9-20/h6-13,18,21,24H,4-5,14-17H2,1-3H3/t18-,21+,24-/m0/s1