3,6-dibutylphenanthrene-1,2-dicarboxylic acid

Systemtic Name: 3,6-dibutylphenanthrene-1,2-dicarboxylic acid Openeye Name: 3,6-dibutylphenanthrene-1,2-dicarboxylic acid CAS Name: 3,6-dibutylphenanthrene-1,2-dicarboxylic acid IUPAC Name: 3,6-dibutylphenanthrene-1,2-dicarboxylic acid Traditional Name: 3,6-dibutylphenanthrene-1,2-dicarboxylic acid Formula: C24H26O4 MolecularWeight: 378.46084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)C=CC3=C(C(=C(C=C32)CCCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=CC2=C(C=C1)C=CC3=C(C(=C(C=C32)CCCC)C(=O)O)C(=O)O

InChI

InChI=1S/C24H26O4/c1-3-5-7-15-9-10-16-11-12-18-20(19(16)13-15)14-17(8-6-4-2)21(23(25)26)22(18)24(27)28/h9-14H,3-8H2,1-2H3,(H,25,26)(H,27,28)