3,6-bis(azanyl)-2-oxidanyl-2-phenyl-heptanedioic acid dihydrate

Systemtic Name: 3,6-bis(azanyl)-2-oxidanyl-2-phenyl-heptanedioic acid dihydrate Openeye Name: 3,6-diamino-2-hydroxy-2-phenyl-heptanedioic acid dihydrate CAS Name: 3,6-diamino-2-hydroxy-2-phenylheptanedioic acid dihydrate IUPAC Name: 3,6-diamino-2-hydroxy-2-phenylheptanedioic acid dihydrate Traditional Name: 3,6-diamino-2-hydroxy-2-phenyl-pimelic acid dihydrate Formula: C13H22N2O7 MolecularWeight: 318.32298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(CCC(C(=O)O)N)N)(C(=O)O)O.O.O

Isomeric SMILES

C1=CC=C(C=C1)C(C(CCC(C(=O)O)N)N)(C(=O)O)O.O.O

InChI

InChI=1S/C13H18N2O5.2H2O/c14-9(11(16)17)6-7-10(15)13(20,12(18)19)8-4-2-1-3-5-8;;/h1-5,9-10,20H,6-7,14-15H2,(H,16,17)(H,18,19);2*1H2