2,3-bis[3-(tert-butylamino)propyl]-9H-xanthene-1,7-dicarboxylic acid

Systemtic Name: 2,3-bis[3-(tert-butylamino)propyl]-9H-xanthene-1,7-dicarboxylic acid Openeye Name: 2,3-bis[3-(tert-butylamino)propyl]-9H-xanthene-1,7-dicarboxylic acid CAS Name: 2,3-bis[3-(tert-butylamino)propyl]-9H-xanthene-1,7-dicarboxylic acid IUPAC Name: 2,3-bis[3-(tert-butylamino)propyl]-9H-xanthene-1,7-dicarboxylic acid Traditional Name: 2,3-bis[3-(tert-butylamino)propyl]-9H-xanthene-1,7-dicarboxylic acid Formula: C29H40N2O5 MolecularWeight: 496.6383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCCCC1=CC2=C(CC3=C(O2)C=CC(=C3)C(=O)O)C(=C1CCCNC(C)(C)C)C(=O)O

Isomeric SMILES

CC(C)(C)NCCCC1=CC2=C(CC3=C(O2)C=CC(=C3)C(=O)O)C(=C1CCCNC(C)(C)C)C(=O)O

InChI

InChI=1S/C29H40N2O5/c1-28(2,3)30-13-7-9-18-17-24-22(16-20-15-19(26(32)33)11-12-23(20)36-24)25(27(34)35)21(18)10-8-14-31-29(4,5)6/h11-12,15,17,30-31H,7-10,13-14,16H2,1-6H3,(H,32,33)(H,34,35)