1,2-bis[3-(dibutylamino)propyl]-9H-xanthene-4,5-dicarboxylic acid

Systemtic Name: 1,2-bis[3-(dibutylamino)propyl]-9H-xanthene-4,5-dicarboxylic acid Openeye Name: 1,2-bis[3-(dibutylamino)propyl]-9H-xanthene-4,5-dicarboxylic acid CAS Name: 1,2-bis[3-(dibutylamino)propyl]-9H-xanthene-4,5-dicarboxylic acid IUPAC Name: 1,2-bis[3-(dibutylamino)propyl]-9H-xanthene-4,5-dicarboxylic acid Traditional Name: 1,2-bis[3-(dibutylamino)propyl]-9H-xanthene-4,5-dicarboxylic acid Formula: C37H56N2O5 MolecularWeight: 608.85094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCC1=C(C2=C(C(=C1)C(=O)O)OC3=C(C=CC=C3C2)C(=O)O)CCCN(CCCC)CCCC

Isomeric SMILES

CCCCN(CCCC)CCCC1=C(C2=C(C(=C1)C(=O)O)OC3=C(C=CC=C3C2)C(=O)O)CCCN(CCCC)CCCC

InChI

InChI=1S/C37H56N2O5/c1-5-9-20-38(21-10-6-2)24-14-17-28-26-33(37(42)43)35-32(27-29-16-13-18-31(36(40)41)34(29)44-35)30(28)19-15-25-39(22-11-7-3)23-12-8-4/h13,16,18,26H,5-12,14-15,17,19-25,27H2,1-4H3,(H,40,41)(H,42,43)