1,3-bis[3-[bis(3-methylbutyl)amino]propyl]dibenzothiophene-2,6-dicarboxylic acid

Systemtic Name: 1,3-bis[3-[bis(3-methylbutyl)amino]propyl]dibenzothiophene-2,6-dicarboxylic acid Openeye Name: 1,3-bis[3-(diisopentylamino)propyl]dibenzothiophene-2,6-dicarboxylic acid CAS Name: 1,3-bis[3-[bis(3-methylbutyl)amino]propyl]dibenzothiophene-2,6-dicarboxylic acid IUPAC Name: 1,3-bis[3-[bis(3-methylbutyl)amino]propyl]dibenzothiophene-2,6-dicarboxylic acid Traditional Name: 1,3-bis[3-(diisoamylamino)propyl]dibenzothiophene-2,6-dicarboxylic acid Formula: C40H62N2O4S MolecularWeight: 666.99628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CCCC1=CC2=C(C3=C(S2)C(=CC=C3)C(=O)O)C(=C1C(=O)O)CCCN(CCC(C)C)CCC(C)C)CCC(C)C

Isomeric SMILES

CC(C)CCN(CCCC1=CC2=C(C3=C(S2)C(=CC=C3)C(=O)O)C(=C1C(=O)O)CCCN(CCC(C)C)CCC(C)C)CCC(C)C

InChI

InChI=1S/C40H62N2O4S/c1-27(2)16-22-41(23-17-28(3)4)20-10-12-31-26-35-37(33-13-9-14-34(39(43)44)38(33)47-35)32(36(31)40(45)46)15-11-21-42(24-18-29(5)6)25-19-30(7)8/h9,13-14,26-30H,10-12,15-25H2,1-8H3,(H,43,44)(H,45,46)