2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-ium; 4-oxidanyl-4-oxidanylidene-2,3-bis(phenylcarbonyloxy)butanoate

Systemtic Name: 2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-ium; 4-oxidanyl-4-oxidanylidene-2,3-bis(phenylcarbonyloxy)butanoate Openeye Name: 2,3-dibenzoyloxy-4-hydroxy-4-oxo-butanoate; 2-[(2-methoxyphenoxy)methyl]thiazolidin-3-ium CAS Name: 2,3-dibenzoyloxy-4-hydroxy-4-oxobutanoate; 2-[(2-methoxyphenoxy)methyl]thiazolidin-3-ium IUPAC Name: 2,3-dibenzoyloxy-4-hydroxy-4-oxobutanoate; 2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-ium Traditional Name: 2,3-dibenzoyloxy-4-hydroxy-4-keto-butyrate; 2-[(2-methoxyphenoxy)methyl]thiazolidin-3-ium Formula: C29H29NO10S MolecularWeight: 583.60626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC2[NH2+]CCS2.C1=CC=C(C=C1)C(=O)OC(C(C(=O)[O-])OC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1OCC2[NH2+]CCS2.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.C11H15NO2S/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;1-13-9-4-2-3-5-10(9)14-8-11-12-6-7-15-11/h1-10,13-14H,(H,19,20)(H,21,22);2-5,11-12H,6-8H2,1H3