10-bromanyl-6-methoxy-1,4a-dimethyl-9-oxidanylidene-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid

Systemtic Name: 10-bromanyl-6-methoxy-1,4a-dimethyl-9-oxidanylidene-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid Openeye Name: 10-bromo-6-methoxy-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid CAS Name: 10-bromo-6-methoxy-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid IUPAC Name: 10-bromo-6-methoxy-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid Traditional Name: 10-bromo-9-keto-6-methoxy-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid Formula: C18H21BrO4 MolecularWeight: 381.26094

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1C(C(=O)C3=C2C=C(C=C3)OC)Br)(C)C(=O)O

Isomeric SMILES

CC12CCCC(C1C(C(=O)C3=C2C=C(C=C3)OC)Br)(C)C(=O)O

InChI

InChI=1S/C18H21BrO4/c1-17-7-4-8-18(2,16(21)22)15(17)13(19)14(20)11-6-5-10(23-3)9-12(11)17/h5-6,9,13,15H,4,7-8H2,1-3H3,(H,21,22)