O3-[(1R,2R)-2-bromanyl-1,2,3,4-tetrahydrochrysen-1-yl] O1-ethyl propanedioate

Systemtic Name: O3-[(1R,2R)-2-bromanyl-1,2,3,4-tetrahydrochrysen-1-yl] O1-ethyl propanedioate Openeye Name: O3-[(1R,2R)-2-bromo-1,2,3,4-tetrahydrochrysen-1-yl] O1-ethyl propanedioate CAS Name: propanedioic acid O3-[(1R,2R)-2-bromo-1,2,3,4-tetrahydrochrysen-1-yl] ester O1-ethyl ester IUPAC Name: 3-O-[(1R,2R)-2-bromo-1,2,3,4-tetrahydrochrysen-1-yl] 1-O-ethyl propanedioate Traditional Name: malonic acid O3-[(1R,2R)-2-bromo-1,2,3,4-tetrahydrochrysen-1-yl] ester O1-ethyl ester Formula: C23H21BrO4 MolecularWeight: 441.31444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)OC1C(CCC2=C1C=CC3=C2C=CC4=CC=CC=C43)Br

Isomeric SMILES

CCOC(=O)CC(=O)O[C@H]1[C@@H](CCC2=C1C=CC3=C2C=CC4=CC=CC=C43)Br

InChI

InChI=1S/C23H21BrO4/c1-2-27-21(25)13-22(26)28-23-19-10-9-16-15-6-4-3-5-14(15)7-8-17(16)18(19)11-12-20(23)24/h3-10,20,23H,2,11-13H2,1H3/t20-,23-/m1/s1