(2S,3S)-2,3-bis(phenylcarbonyloxy)butanedioate; quinolizin-5-ium

Systemtic Name: (2S,3S)-2,3-bis(phenylcarbonyloxy)butanedioate; quinolizin-5-ium Openeye Name: (2S,3S)-2,3-dibenzoyloxybutanedioate; quinolizin-5-ium CAS Name: (2S,3S)-2,3-dibenzoyloxybutanedioate; quinolizin-5-ium IUPAC Name: (2S,3S)-2,3-dibenzoyloxybutanedioate; quinolizin-5-ium Traditional Name: (2S,3S)-2,3-dibenzoyloxysuccinate; quinolizin-5-ium Formula: C36H28N2O8 MolecularWeight: 616.61612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(C(C(=O)[O-])OC(=O)C2=CC=CC=C2)C(=O)[O-].C1=CC=[N+]2C=CC=CC2=C1.C1=CC=[N+]2C=CC=CC2=C1

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O[C@@H]([C@@H](C(=O)[O-])OC(=O)C2=CC=CC=C2)C(=O)[O-].C1=CC=[N+]2C=CC=CC2=C1.C1=CC=[N+]2C=CC=CC2=C1

InChI

InChI=1S/C18H14O8.2C9H8N/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;2*1-3-7-10-8-4-2-6-9(10)5-1/h1-10,13-14H,(H,19,20)(H,21,22);2*1-8H/q;2*+1/p-2/t13-,14-;;/m0../s1