9-[1,7-bis(dibutylamino)-4-ethyl-heptan-4-yl]oxyphenanthrene-2,7-dicarboxylic acid

Systemtic Name: 9-[1,7-bis(dibutylamino)-4-ethyl-heptan-4-yl]oxyphenanthrene-2,7-dicarboxylic acid Openeye Name: 9-[4-(dibutylamino)-1-[3-(dibutylamino)propyl]-1-ethyl-butoxy]phenanthrene-2,7-dicarboxylic acid CAS Name: 9-[1,7-bis(dibutylamino)-4-ethylheptan-4-yl]oxyphenanthrene-2,7-dicarboxylic acid IUPAC Name: 9-[1,7-bis(dibutylamino)-4-ethylheptan-4-yl]oxyphenanthrene-2,7-dicarboxylic acid Traditional Name: 9-[4-(dibutylamino)-1-[3-(dibutylamino)propyl]-1-ethyl-butoxy]phenanthrene-2,7-dicarboxylic acid Formula: C41H62N2O5 MolecularWeight: 662.94138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCC(CC)(CCCN(CCCC)CCCC)OC1=C2C=C(C=CC2=C3C=CC(=CC3=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCN(CCCC)CCCC(CC)(CCCN(CCCC)CCCC)OC1=C2C=C(C=CC2=C3C=CC(=CC3=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C41H62N2O5/c1-6-11-23-42(24-12-7-2)27-15-21-41(10-5,22-16-28-43(25-13-8-3)26-14-9-4)48-38-31-34-29-32(39(44)45)17-19-35(34)36-20-18-33(40(46)47)30-37(36)38/h17-20,29-31H,6-16,21-28H2,1-5H3,(H,44,45)(H,46,47)