(3aS,4S,5R,7aR)-5-(1,3-benzodioxol-5-yl)-2-oxidanylidene-3a,4,5,7a-tetrahydro-3H-1-benzofuran-4-carboxylic acid

Systemtic Name: (3aS,4S,5R,7aR)-5-(1,3-benzodioxol-5-yl)-2-oxidanylidene-3a,4,5,7a-tetrahydro-3H-1-benzofuran-4-carboxylic acid Openeye Name: (3aS,4S,5R,7aR)-5-(1,3-benzodioxol-5-yl)-2-oxo-3a,4,5,7a-tetrahydro-3H-benzofuran-4-carboxylic acid CAS Name: (3aS,4S,5R,7aR)-5-(1,3-benzodioxol-5-yl)-2-oxo-3a,4,5,7a-tetrahydro-3H-benzofuran-4-carboxylic acid IUPAC Name: (3aS,4S,5R,7aR)-5-(1,3-benzodioxol-5-yl)-2-oxo-3a,4,5,7a-tetrahydro-3H-1-benzofuran-4-carboxylic acid Traditional Name: (3aS,4S,5R,7aR)-5-(1,3-benzodioxol-5-yl)-2-keto-3a,4,5,7a-tetrahydro-3H-benzofuran-4-carboxylic acid Formula: C16H14O6 MolecularWeight: 302.27876

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C=CC(C2C(=O)O)C3=CC4=C(C=C3)OCO4)OC1=O

Isomeric SMILES

C1[C@@H]2[C@@H](C=C[C@H]([C@@H]2C(=O)O)C3=CC4=C(C=C3)OCO4)OC1=O

InChI

InChI=1S/C16H14O6/c17-14-6-10-11(22-14)4-2-9(15(10)16(18)19)8-1-3-12-13(5-8)21-7-20-12/h1-5,9-11,15H,6-7H2,(H,18,19)/t9-,10+,11+,15-/m0/s1