4-(3-hydroxyphenyl)-5-oxidanyl-nonane-3,4,5-tricarboxylic acid; pyrrolidine

Systemtic Name: 4-(3-hydroxyphenyl)-5-oxidanyl-nonane-3,4,5-tricarboxylic acid; pyrrolidine Openeye Name: 5-hydroxy-4-(3-hydroxyphenyl)nonane-3,4,5-tricarboxylic acid; pyrrolidine CAS Name: 5-hydroxy-4-(3-hydroxyphenyl)nonane-3,4,5-tricarboxylic acid; pyrrolidine IUPAC Name: 5-hydroxy-4-(3-hydroxyphenyl)nonane-3,4,5-tricarboxylic acid; pyrrolidine Traditional Name: 5-hydroxy-4-(3-hydroxyphenyl)nonane-3,4,5-tricarboxylic acid; pyrrolidine Formula: C22H33NO8 MolecularWeight: 439.49932

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)C(C(=O)O)(C(CCC)(C1=CC(=CC=C1)O)C(=O)O)O.C1CCNC1

Isomeric SMILES

CCCC(C(=O)O)C(C(=O)O)(C(CCC)(C1=CC(=CC=C1)O)C(=O)O)O.C1CCNC1

InChI

InChI=1S/C18H24O8.C4H9N/c1-3-6-13(14(20)21)18(26,16(24)25)17(9-4-2,15(22)23)11-7-5-8-12(19)10-11;1-2-4-5-3-1/h5,7-8,10,13,19,26H,3-4,6,9H2,1-2H3,(H,20,21)(H,22,23)(H,24,25);5H,1-4H2