4-[(2-methyl-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-3-yl)oxy]benzoate

Systemtic Name: 4-[(2-methyl-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-3-yl)oxy]benzoate Openeye Name: 4-[(4-hydroxy-2-methyl-7-oxo-5,6,8,8a-tetrahydrochromen-3-yl)oxy]benzoate CAS Name: 4-[(4-hydroxy-2-methyl-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-3-yl)oxy]benzoate IUPAC Name: 4-[(4-hydroxy-2-methyl-7-oxo-5,6,8,8a-tetrahydrochromen-3-yl)oxy]benzoate Traditional Name: 4-[(4-hydroxy-7-keto-2-methyl-5,6,8,8a-tetrahydrochromen-3-yl)oxy]benzoate Formula: C17H15O6- MolecularWeight: 315.2974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(=O)CC2O1)O)OC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=C2CCC(=O)CC2O1)O)OC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C17H16O6/c1-9-16(23-12-5-2-10(3-6-12)17(20)21)15(19)13-7-4-11(18)8-14(13)22-9/h2-3,5-6,14,19H,4,7-8H2,1H3,(H,20,21)/p-1