1,3-bis[3-(diethylamino)propyl]dibenzothiophene-2,8-dicarboxylic acid

Systemtic Name: 1,3-bis[3-(diethylamino)propyl]dibenzothiophene-2,8-dicarboxylic acid Openeye Name: 1,3-bis[3-(diethylamino)propyl]dibenzothiophene-2,8-dicarboxylic acid CAS Name: 1,3-bis[3-(diethylamino)propyl]dibenzothiophene-2,8-dicarboxylic acid IUPAC Name: 1,3-bis[3-(diethylamino)propyl]dibenzothiophene-2,8-dicarboxylic acid Traditional Name: 1,3-bis[3-(diethylamino)propyl]dibenzothiophene-2,8-dicarboxylic acid Formula: C28H38N2O4S MolecularWeight: 498.67732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N2O4S/c1-5-29(6-2)15-9-11-19-18-24-26(22-17-20(27(31)32)13-14-23(22)35-24)21(25(19)28(33)34)12-10-16-30(7-3)8-4/h13-14,17-18H,5-12,15-16H2,1-4H3,(H,31,32)(H,33,34)