(6aR,10aR)-2-bromanyl-6,6-dimethyl-3-(2-methyloctan-2-yl)-1-oxidanyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one

Systemtic Name: (6aR,10aR)-2-bromanyl-6,6-dimethyl-3-(2-methyloctan-2-yl)-1-oxidanyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one Openeye Name: (6aR,10aR)-2-bromo-3-(1,1-dimethylheptyl)-1-hydroxy-6,6-dimethyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one CAS Name: (6aR,10aR)-2-bromo-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c][1]benzopyran-9-one IUPAC Name: (6aR,10aR)-2-bromo-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one Traditional Name: (6aR,10aR)-2-bromo-3-(1,1-dimethylheptyl)-1-hydroxy-6,6-dimethyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one Formula: C24H35BrO3 MolecularWeight: 451.4369

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC2=C(C3CC(=O)CCC3C(O2)(C)C)C(=C1Br)O

Isomeric SMILES

CCCCCCC(C)(C)C1=CC2=C([C@@H]3CC(=O)CC[C@H]3C(O2)(C)C)C(=C1Br)O

InChI

InChI=1S/C24H35BrO3/c1-6-7-8-9-12-23(2,3)18-14-19-20(22(27)21(18)25)16-13-15(26)10-11-17(16)24(4,5)28-19/h14,16-17,27H,6-13H2,1-5H3/t16-,17-/m1/s1