2,3-bis(phenoxycarbonyloxy)butanedioic acid; 3-[(phenylmethyl)amino]propane-1,2-diol

Systemtic Name: 2,3-bis(phenoxycarbonyloxy)butanedioic acid; 3-[(phenylmethyl)amino]propane-1,2-diol Openeye Name: 3-(benzylamino)propane-1,2-diol; 2,3-bis(phenoxycarbonyloxy)butanedioic acid CAS Name: 2,3-bis[oxo(phenoxy)methoxy]butanedioic acid; 3-[(phenylmethyl)amino]propane-1,2-diol IUPAC Name: 3-(benzylamino)propane-1,2-diol; 2,3-bis(phenoxycarbonyloxy)butanedioic acid Traditional Name: 3-(benzylamino)propane-1,2-diol; 2,3-dicarbophenoxyoxysuccinic acid Formula: C28H29NO12 MolecularWeight: 571.52936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC(CO)O.C1=CC=C(C=C1)OC(=O)OC(C(C(=O)O)OC(=O)OC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNCC(CO)O.C1=CC=C(C=C1)OC(=O)OC(C(C(=O)O)OC(=O)OC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H14O10.C10H15NO2/c19-15(20)13(27-17(23)25-11-7-3-1-4-8-11)14(16(21)22)28-18(24)26-12-9-5-2-6-10-12;12-8-10(13)7-11-6-9-4-2-1-3-5-9/h1-10,13-14H,(H,19,20)(H,21,22);1-5,10-13H,6-8H2