1-ethyl-2-methyl-7-oxidanylidene-1,5,6,9,10,10a-hexahydrophenanthrene-2-carboxylic acid

Systemtic Name: 1-ethyl-2-methyl-7-oxidanylidene-1,5,6,9,10,10a-hexahydrophenanthrene-2-carboxylic acid Openeye Name: 1-ethyl-2-methyl-7-oxo-1,5,6,9,10,10a-hexahydrophenanthrene-2-carboxylic acid CAS Name: 1-ethyl-2-methyl-7-oxo-1,5,6,9,10,10a-hexahydrophenanthrene-2-carboxylic acid IUPAC Name: 1-ethyl-2-methyl-7-oxo-1,5,6,9,10,10a-hexahydrophenanthrene-2-carboxylic acid Traditional Name: 1-ethyl-7-keto-2-methyl-1,5,6,9,10,10a-hexahydrophenanthrene-2-carboxylic acid Formula: C18H22O3 MolecularWeight: 286.36548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2CCC3=CC(=O)CCC3=C2C=CC1(C)C(=O)O

Isomeric SMILES

CCC1C2CCC3=CC(=O)CCC3=C2C=CC1(C)C(=O)O

InChI

InChI=1S/C18H22O3/c1-3-16-15-6-4-11-10-12(19)5-7-13(11)14(15)8-9-18(16,2)17(20)21/h8-10,15-16H,3-7H2,1-2H3,(H,20,21)