2,3-bis(phenylcarbonyloxy)butanedioic acid; 2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine

Systemtic Name: 2,3-bis(phenylcarbonyloxy)butanedioic acid; 2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine Openeye Name: 2,3-dibenzoyloxybutanedioic acid; 2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine CAS Name: 2,3-dibenzoyloxybutanedioic acid; 2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine IUPAC Name: 2,3-dibenzoyloxybutanedioic acid; 2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine Traditional Name: 2,3-dibenzoyloxysuccinic acid; 2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine Formula: C58H60N2O12 MolecularWeight: 977.1032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(C1)C2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4.C1CCNC(C1)C2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CCNC(C1)C2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4.C1CCNC(C1)C2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/2C20H23NO2.C18H14O8/c2*1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)22-15-19(23-20)18-13-7-8-14-21-18;19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h2*1-6,9-12,18-19,21H,7-8,13-15H2;1-10,13-14H,(H,19,20)(H,21,22)