4-(5-heptyl-1,3-dioxan-2-yl)benzoic acid

Systemtic Name: 4-(5-heptyl-1,3-dioxan-2-yl)benzoic acid Openeye Name: 4-(5-heptyl-1,3-dioxan-2-yl)benzoic acid CAS Name: 4-(5-heptyl-1,3-dioxan-2-yl)benzoic acid IUPAC Name: 4-(5-heptyl-1,3-dioxan-2-yl)benzoic acid Traditional Name: 4-(5-heptyl-1,3-dioxan-2-yl)benzoic acid Formula: C18H26O4 MolecularWeight: 306.39664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1COC(OC1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCCC1COC(OC1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H26O4/c1-2-3-4-5-6-7-14-12-21-18(22-13-14)16-10-8-15(9-11-16)17(19)20/h8-11,14,18H,2-7,12-13H2,1H3,(H,19,20)