[(2S,3S,10bR)-10b-bromanyl-3-(phenylcarbonyloxy)-2,3-dihydro-1H-fluoranthen-2-yl] benzoate

Systemtic Name: [(2S,3S,10bR)-10b-bromanyl-3-(phenylcarbonyloxy)-2,3-dihydro-1H-fluoranthen-2-yl] benzoate Openeye Name: [(2S,3S,10bR)-3-benzoyloxy-10b-bromo-2,3-dihydro-1H-fluoranthen-2-yl] benzoate CAS Name: benzoic acid [(2S,3S,10bR)-3-benzoyloxy-10b-bromo-2,3-dihydro-1H-fluoranthen-2-yl] ester IUPAC Name: [(2S,3S,10bR)-3-benzoyloxy-10b-bromo-2,3-dihydro-1H-fluoranthen-2-yl] benzoate Traditional Name: benzoic acid [(2S,3S,10bR)-3-benzoyloxy-10b-bromo-2,3-dihydro-1H-fluoranthen-2-yl] ester Formula: C30H21BrO4 MolecularWeight: 525.38934

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C2=CC=CC3=C2C1(C4=CC=CC=C34)Br)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

Isomeric SMILES

C1[C@@H]([C@H](C2=CC=CC3=C2[C@@]1(C4=CC=CC=C34)Br)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C30H21BrO4/c31-30-18-25(34-28(32)19-10-3-1-4-11-19)27(35-29(33)20-12-5-2-6-13-20)23-16-9-15-22(26(23)30)21-14-7-8-17-24(21)30/h1-17,25,27H,18H2/t25-,27-,30+/m0/s1