1-methyl-2,3,4,9,10,10a-hexahydrophenanthrene-1,4a-dicarboxylic acid

Systemtic Name: 1-methyl-2,3,4,9,10,10a-hexahydrophenanthrene-1,4a-dicarboxylic acid Openeye Name: 1-methyl-2,3,4,9,10,10a-hexahydrophenanthrene-1,4a-dicarboxylic acid CAS Name: 1-methyl-2,3,4,9,10,10a-hexahydrophenanthrene-1,4a-dicarboxylic acid IUPAC Name: 1-methyl-2,3,4,9,10,10a-hexahydrophenanthrene-1,4a-dicarboxylic acid Traditional Name: 1-methyl-2,3,4,9,10,10a-hexahydrophenanthrene-1,4a-dicarboxylic acid Formula: C17H20O4 MolecularWeight: 288.3383

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC2(C1CCC3=CC=CC=C32)C(=O)O)C(=O)O

Isomeric SMILES

CC1(CCCC2(C1CCC3=CC=CC=C32)C(=O)O)C(=O)O

InChI

InChI=1S/C17H20O4/c1-16(14(18)19)9-4-10-17(15(20)21)12-6-3-2-5-11(12)7-8-13(16)17/h2-3,5-6,13H,4,7-10H2,1H3,(H,18,19)(H,20,21)