8-bromanyl-6-chloranyl-4a-ethyl-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol

Systemtic Name: 8-bromanyl-6-chloranyl-4a-ethyl-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol Openeye Name: 8-bromo-6-chloro-4a-ethyl-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol CAS Name: 8-bromo-6-chloro-4a-ethyl-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol IUPAC Name: 8-bromo-6-chloro-4a-ethyl-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol Traditional Name: 8-bromo-6-chloro-4a-ethyl-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol Formula: C23H26BrClO3 MolecularWeight: 465.80774

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(C(CC1CCC3=C(C(=C(C=C23)Cl)O)Br)(C4=CC=CC=C4)O)(C)O

Isomeric SMILES

CCC12CC(C(CC1CCC3=C(C(=C(C=C23)Cl)O)Br)(C4=CC=CC=C4)O)(C)O

InChI

InChI=1S/C23H26BrClO3/c1-3-22-13-21(2,27)23(28,14-7-5-4-6-8-14)12-15(22)9-10-16-17(22)11-18(25)20(26)19(16)24/h4-8,11,15,26-28H,3,9-10,12-13H2,1-2H3