5H-1,2-benzoxathiepine-4-carboxylate; 2,3-bis(oxidanyl)butanedioic acid

Systemtic Name: 5H-1,2-benzoxathiepine-4-carboxylate; 2,3-bis(oxidanyl)butanedioic acid Openeye Name: 5H-1,2-benzoxathiepine-4-carboxylate; 2,3-dihydroxybutanedioic acid CAS Name: 5H-1,2-benzoxathiepin-4-carboxylate; 2,3-dihydroxybutanedioic acid IUPAC Name: 5H-1,2-benzoxathiepine-4-carboxylate; 2,3-dihydroxybutanedioic acid Traditional Name: 5H-1,2-benzoxathiepin-4-carboxylate; tartaric acid Formula: C14H13O9S- MolecularWeight: 357.31262

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2OSC=C1C(=O)[O-].C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

C1C2=CC=CC=C2OSC=C1C(=O)[O-].C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C10H8O3S.C4H6O6/c11-10(12)8-5-7-3-1-2-4-9(7)13-14-6-8;5-1(3(7)8)2(6)4(9)10/h1-4,6H,5H2,(H,11,12);1-2,5-6H,(H,7,8)(H,9,10)/p-1