4-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]phenyl]butanoic acid; methoxybenzene

Systemtic Name: 4-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]phenyl]butanoic acid; methoxybenzene Openeye Name: anisole; 4-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]phenyl]butanoic acid CAS Name: 4-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]phenyl]butanoic acid; methoxybenzene IUPAC Name: anisole; 4-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]phenyl]butanoic acid Traditional Name: anisole; 4-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]phenyl]butyric acid Formula: C24H32O5 MolecularWeight: 400.50788

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)CC2=CC=CC=C2CCCC(=O)O)C.COC1=CC=CC=C1

Isomeric SMILES

CC1(OCC(CO1)CC2=CC=CC=C2CCCC(=O)O)C.COC1=CC=CC=C1

InChI

InChI=1S/C17H24O4.C7H8O/c1-17(2)20-11-13(12-21-17)10-15-7-4-3-6-14(15)8-5-9-16(18)19;1-8-7-5-3-2-4-6-7/h3-4,6-7,13H,5,8-12H2,1-2H3,(H,18,19);2-6H,1H3