2,3-bis(phenylcarbonyloxy)butanedioic acid; 2-(3-methylsulfonylphenyl)-1-propyl-piperidine

Systemtic Name: 2,3-bis(phenylcarbonyloxy)butanedioic acid; 2-(3-methylsulfonylphenyl)-1-propyl-piperidine Openeye Name: 2,3-dibenzoyloxybutanedioic acid; 2-(3-methylsulfonylphenyl)-1-propyl-piperidine CAS Name: 2,3-dibenzoyloxybutanedioic acid; 2-(3-methylsulfonylphenyl)-1-propylpiperidine IUPAC Name: 2,3-dibenzoyloxybutanedioic acid; 2-(3-methylsulfonylphenyl)-1-propylpiperidine Traditional Name: 2,3-dibenzoyloxysuccinic acid; 2-(3-mesylphenyl)-1-propyl-piperidine Formula: C33H37NO10S MolecularWeight: 639.71258

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCCCC1C2=CC(=CC=C2)S(=O)(=O)C.C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCN1CCCCC1C2=CC(=CC=C2)S(=O)(=O)C.C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H14O8.C15H23NO2S/c19-15(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;1-3-10-16-11-5-4-9-15(16)13-7-6-8-14(12-13)19(2,17)18/h1-10,13-14H,(H,19,20)(H,21,22);6-8,12,15H,3-5,9-11H2,1-2H3