4-(2-heptyl-5-oxidanylidene-2H-furan-3-yl)benzoic acid

Systemtic Name: 4-(2-heptyl-5-oxidanylidene-2H-furan-3-yl)benzoic acid Openeye Name: 4-(2-heptyl-5-oxo-2H-furan-3-yl)benzoic acid CAS Name: 4-(2-heptyl-5-oxo-2H-furan-3-yl)benzoic acid IUPAC Name: 4-(2-heptyl-5-oxo-2H-furan-3-yl)benzoic acid Traditional Name: 4-(2-heptyl-5-keto-2H-furan-3-yl)benzoic acid Formula: C18H22O4 MolecularWeight: 302.36488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(=CC(=O)O1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCCC1C(=CC(=O)O1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H22O4/c1-2-3-4-5-6-7-16-15(12-17(19)22-16)13-8-10-14(11-9-13)18(20)21/h8-12,16H,2-7H2,1H3,(H,20,21)