2-methyl-7-oxidanyl-1-(2-oxidanylideneethyl)-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid

Systemtic Name: 2-methyl-7-oxidanyl-1-(2-oxidanylideneethyl)-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid Openeye Name: 7-hydroxy-2-methyl-1-(2-oxoethyl)-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid CAS Name: 7-hydroxy-2-methyl-1-(2-oxoethyl)-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid IUPAC Name: 7-hydroxy-2-methyl-1-(2-oxoethyl)-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid Traditional Name: 7-hydroxy-1-(2-ketoethyl)-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid Formula: C18H22O4 MolecularWeight: 302.36488

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2C(C1CC=O)CCC3=C2C=CC(=C3)O)C(=O)O

Isomeric SMILES

CC1(CCC2C(C1CC=O)CCC3=C2C=CC(=C3)O)C(=O)O

InChI

InChI=1S/C18H22O4/c1-18(17(21)22)8-6-14-13-5-3-12(20)10-11(13)2-4-15(14)16(18)7-9-19/h3,5,9-10,14-16,20H,2,4,6-8H2,1H3,(H,21,22)