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

Systemtic Name: 1,3-bis[3-(prop-2-enylamino)propyl]-9H-xanthene-2,7-dicarboxylic acid Openeye Name: 1,3-bis[3-(allylamino)propyl]-9H-xanthene-2,7-dicarboxylic acid CAS Name: 1,3-bis[3-(prop-2-enylamino)propyl]-9H-xanthene-2,7-dicarboxylic acid IUPAC Name: 1,3-bis[3-(prop-2-enylamino)propyl]-9H-xanthene-2,7-dicarboxylic acid Traditional Name: 1,3-bis[3-(allylamino)propyl]-9H-xanthene-2,7-dicarboxylic acid Formula: C27H32N2O5 MolecularWeight: 464.55338

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNCCCC1=CC2=C(CC3=C(O2)C=CC(=C3)C(=O)O)C(=C1C(=O)O)CCCNCC=C

Isomeric SMILES

C=CCNCCCC1=CC2=C(CC3=C(O2)C=CC(=C3)C(=O)O)C(=C1C(=O)O)CCCNCC=C

InChI

InChI=1S/C27H32N2O5/c1-3-11-28-13-5-7-18-17-24-22(16-20-15-19(26(30)31)9-10-23(20)34-24)21(25(18)27(32)33)8-6-14-29-12-4-2/h3-4,9-10,15,17,28-29H,1-2,5-8,11-14,16H2,(H,30,31)(H,32,33)