(3S,4S)-3-(1,3-benzodioxol-5-yl)-1-oxidanylidene-3,4-dihydroisochromene-4-carboxylic acid

Systemtic Name: (3S,4S)-3-(1,3-benzodioxol-5-yl)-1-oxidanylidene-3,4-dihydroisochromene-4-carboxylic acid Openeye Name: (3S,4S)-3-(1,3-benzodioxol-5-yl)-1-oxo-isochromane-4-carboxylic acid CAS Name: (3S,4S)-3-(1,3-benzodioxol-5-yl)-1-oxo-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid IUPAC Name: (3S,4S)-3-(1,3-benzodioxol-5-yl)-1-oxo-3,4-dihydroisochromene-4-carboxylic acid Traditional Name: (3S,4S)-3-(1,3-benzodioxol-5-yl)-1-keto-isochroman-4-carboxylic acid Formula: C17H12O6 MolecularWeight: 312.27358

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3C(C4=CC=CC=C4C(=O)O3)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@@H]3[C@H](C4=CC=CC=C4C(=O)O3)C(=O)O

InChI

InChI=1S/C17H12O6/c18-16(19)14-10-3-1-2-4-11(10)17(20)23-15(14)9-5-6-12-13(7-9)22-8-21-12/h1-7,14-15H,8H2,(H,18,19)/t14-,15+/m0/s1