2-(3-methyl-1-oxidanylidene-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-7-yl)propanoic acid

Systemtic Name: 2-(3-methyl-1-oxidanylidene-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-7-yl)propanoic acid Openeye Name: 2-(3-methyl-1-oxo-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-7-yl)propanoic acid CAS Name: 2-(3-methyl-1-oxo-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b][1]benzopyran-7-yl)propanoic acid IUPAC Name: 2-(3-methyl-1-oxo-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-7-yl)propanoic acid Traditional Name: 2-(1-keto-3-methyl-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-7-yl)propionic acid Formula: C16H18O5 MolecularWeight: 290.31112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C3CCC(CC3O2)C(C)C(=O)O)C(=O)O1

Isomeric SMILES

CC1=CC2=C(C=C3CCC(CC3O2)C(C)C(=O)O)C(=O)O1

InChI

InChI=1S/C16H18O5/c1-8-5-14-12(16(19)20-8)6-11-4-3-10(7-13(11)21-14)9(2)15(17)18/h5-6,9-10,13H,3-4,7H2,1-2H3,(H,17,18)