4-bromanyl-10a-butyl-7-oxidanyl-1,2,9,10-tetrahydrophenanthren-3-one

Systemtic Name: 4-bromanyl-10a-butyl-7-oxidanyl-1,2,9,10-tetrahydrophenanthren-3-one Openeye Name: 4-bromo-10a-butyl-7-hydroxy-1,2,9,10-tetrahydrophenanthren-3-one CAS Name: 4-bromo-10a-butyl-7-hydroxy-1,2,9,10-tetrahydrophenanthren-3-one IUPAC Name: 4-bromo-10a-butyl-7-hydroxy-1,2,9,10-tetrahydrophenanthren-3-one Traditional Name: 4-bromo-10a-butyl-7-hydroxy-1,2,9,10-tetrahydrophenanthren-3-one Formula: C18H21BrO2 MolecularWeight: 349.26214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC12CCC3=C(C1=C(C(=O)CC2)Br)C=CC(=C3)O

Isomeric SMILES

CCCCC12CCC3=C(C1=C(C(=O)CC2)Br)C=CC(=C3)O

InChI

InChI=1S/C18H21BrO2/c1-2-3-8-18-9-6-12-11-13(20)4-5-14(12)16(18)17(19)15(21)7-10-18/h4-5,11,20H,2-3,6-10H2,1H3