2,3,4,9,10,10a-hexahydro-1H-phenanthrene-4a,9-dicarboxylic acid

Systemtic Name: 2,3,4,9,10,10a-hexahydro-1H-phenanthrene-4a,9-dicarboxylic acid Openeye Name: 2,3,4,9,10,10a-hexahydro-1H-phenanthrene-4a,9-dicarboxylic acid CAS Name: 2,3,4,9,10,10a-hexahydro-1H-phenanthrene-4a,9-dicarboxylic acid IUPAC Name: 2,3,4,9,10,10a-hexahydro-1H-phenanthrene-4a,9-dicarboxylic acid Traditional Name: 2,3,4,9,10,10a-hexahydro-1H-phenanthrene-4a,9-dicarboxylic acid Formula: C16H18O4 MolecularWeight: 274.31172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(C1)CC(C3=CC=CC=C32)C(=O)O)C(=O)O

Isomeric SMILES

C1CCC2(C(C1)CC(C3=CC=CC=C32)C(=O)O)C(=O)O

InChI

InChI=1S/C16H18O4/c17-14(18)12-9-10-5-3-4-8-16(10,15(19)20)13-7-2-1-6-11(12)13/h1-2,6-7,10,12H,3-5,8-9H2,(H,17,18)(H,19,20)