ethyl 2-methyl-3a,8b-bis(oxidanyl)-4-oxidanylidene-indeno[1,2-b]furan-3-carboxylate hydrate

Systemtic Name: ethyl 2-methyl-3a,8b-bis(oxidanyl)-4-oxidanylidene-indeno[1,2-b]furan-3-carboxylate hydrate Openeye Name: ethyl 3a,8b-dihydroxy-2-methyl-4-oxo-indeno[1,2-b]furan-3-carboxylate hydrate CAS Name: 3a,8b-dihydroxy-2-methyl-4-oxo-3-indeno[1,2-b]furancarboxylic acid ethyl ester hydrate IUPAC Name: ethyl 3a,8b-dihydroxy-2-methyl-4-oxoindeno[1,2-b]furan-3-carboxylate hydrate Traditional Name: 3a,8b-dihydroxy-4-keto-2-methyl-indeno[1,2-b]furan-3-carboxylic acid ethyl ester hydrate Formula: C15H16O7 MolecularWeight: 308.28334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2(C1(C(=O)C3=CC=CC=C32)O)O)C.O

Isomeric SMILES

CCOC(=O)C1=C(OC2(C1(C(=O)C3=CC=CC=C32)O)O)C.O

InChI

InChI=1S/C15H14O6.H2O/c1-3-20-13(17)11-8(2)21-15(19)10-7-5-4-6-9(10)12(16)14(11,15)18;/h4-7,18-19H,3H2,1-2H3;1H2