(3S,4S)-6,7-bis(oxidanyl)-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisochromene-4-carboxylic acid

Systemtic Name: (3S,4S)-6,7-bis(oxidanyl)-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisochromene-4-carboxylic acid Openeye Name: (3S,4S)-6,7-dihydroxy-1-oxo-3-(2-thienyl)isochromane-4-carboxylic acid CAS Name: (3S,4S)-6,7-dihydroxy-1-oxo-3-thiophen-2-yl-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid IUPAC Name: (3S,4S)-6,7-dihydroxy-1-oxo-3-thiophen-2-yl-3,4-dihydroisochromene-4-carboxylic acid Traditional Name: (3S,4S)-6,7-dihydroxy-1-keto-3-(2-thienyl)isochroman-4-carboxylic acid Formula: C14H10O6S MolecularWeight: 306.2906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2C(C3=CC(=C(C=C3C(=O)O2)O)O)C(=O)O

Isomeric SMILES

C1=CSC(=C1)[C@@H]2[C@H](C3=CC(=C(C=C3C(=O)O2)O)O)C(=O)O

InChI

InChI=1S/C14H10O6S/c15-8-4-6-7(5-9(8)16)14(19)20-12(11(6)13(17)18)10-2-1-3-21-10/h1-5,11-12,15-16H,(H,17,18)/t11-,12+/m0/s1