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

Systemtic Name: 9-[1,7-bis(dibutylamino)-4-methyl-heptan-4-yl]oxyphenanthrene-2,7-dicarboxylic acid Openeye Name: 9-[4-(dibutylamino)-1-[3-(dibutylamino)propyl]-1-methyl-butoxy]phenanthrene-2,7-dicarboxylic acid CAS Name: 9-[1,7-bis(dibutylamino)-4-methylheptan-4-yl]oxyphenanthrene-2,7-dicarboxylic acid IUPAC Name: 9-[1,7-bis(dibutylamino)-4-methylheptan-4-yl]oxyphenanthrene-2,7-dicarboxylic acid Traditional Name: 9-[4-(dibutylamino)-1-[3-(dibutylamino)propyl]-1-methyl-butoxy]phenanthrene-2,7-dicarboxylic acid Formula: C40H60N2O5 MolecularWeight: 648.9148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H60N2O5/c1-6-10-22-41(23-11-7-2)26-14-20-40(5,21-15-27-42(24-12-8-3)25-13-9-4)47-37-30-33-28-31(38(43)44)16-18-34(33)35-19-17-32(39(45)46)29-36(35)37/h16-19,28-30H,6-15,20-27H2,1-5H3,(H,43,44)(H,45,46)