4-(2-heptoxyphenyl)-2,4-bis(oxidanylidene)butanoic acid

Systemtic Name: 4-(2-heptoxyphenyl)-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-(2-heptoxyphenyl)-2,4-dioxo-butanoic acid CAS Name: 4-(2-heptoxyphenyl)-2,4-dioxobutanoic acid IUPAC Name: 4-(2-heptoxyphenyl)-2,4-dioxobutanoic acid Traditional Name: 4-(2-heptoxyphenyl)-2,4-diketo-butyric acid Formula: C17H22O5 MolecularWeight: 306.35358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC=C1C(=O)CC(=O)C(=O)O

Isomeric SMILES

CCCCCCCOC1=CC=CC=C1C(=O)CC(=O)C(=O)O

InChI

InChI=1S/C17H22O5/c1-2-3-4-5-8-11-22-16-10-7-6-9-13(16)14(18)12-15(19)17(20)21/h6-7,9-10H,2-5,8,11-12H2,1H3,(H,20,21)