(1R,1aS,7bS)-6-bromanyl-1a-ethanoyl-1-ethyl-1-(phenylcarbonyl)-7bH-cyclopropa[c]chromen-2-one

Systemtic Name: (1R,1aS,7bS)-6-bromanyl-1a-ethanoyl-1-ethyl-1-(phenylcarbonyl)-7bH-cyclopropa[c]chromen-2-one Openeye Name: (1R,1aS,7bS)-1a-acetyl-1-benzoyl-6-bromo-1-ethyl-7bH-cyclopropa[c]chromen-2-one CAS Name: (1R,1aS,7bS)-1a-acetyl-1-benzoyl-6-bromo-1-ethyl-7bH-cyclopropa[c][1]benzopyran-2-one IUPAC Name: (1R,1aS,7bS)-1a-acetyl-1-benzoyl-6-bromo-1-ethyl-7bH-cyclopropa[c]chromen-2-one Traditional Name: (1R,1aS,7bS)-1a-acetyl-1-benzoyl-6-bromo-1-ethyl-7bH-cyclopropa[c]chromen-2-one Formula: C21H17BrO4 MolecularWeight: 413.26128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2C1(C(=O)OC3=C2C=C(C=C3)Br)C(=O)C)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC[C@]1([C@H]2[C@@]1(C(=O)OC3=C2C=C(C=C3)Br)C(=O)C)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H17BrO4/c1-3-20(18(24)13-7-5-4-6-8-13)17-15-11-14(22)9-10-16(15)26-19(25)21(17,20)12(2)23/h4-11,17H,3H2,1-2H3/t17-,20-,21+/m0/s1