3-[4-(4-benzo[d][1,3]benzodioxocin-5-ylidenebutoxy)phenyl]-2-methoxy-propanoic acid

Systemtic Name: 3-[4-(4-benzo[d][1,3]benzodioxocin-5-ylidenebutoxy)phenyl]-2-methoxy-propanoic acid Openeye Name: 3-[4-(4-benzo[d][1,3]benzodioxocin-5-ylidenebutoxy)phenyl]-2-methoxy-propanoic acid CAS Name: 3-[4-[4-(5-benzo[d][1,3]benzodioxocinylidene)butoxy]phenyl]-2-methoxypropanoic acid IUPAC Name: 3-[4-(4-benzo[d][1,3]benzodioxocin-5-ylidenebutoxy)phenyl]-2-methoxypropanoic acid Traditional Name: 3-[4-(4-benzo[d][1,3]benzodioxocin-5-ylidenebutoxy)phenyl]-2-methoxy-propionic acid Formula: C28H28O6 MolecularWeight: 460.51832

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=CC=C(C=C1)OCCCC=C2C3=CC=CC=C3OCOC4=CC=CC=C42)C(=O)O

Isomeric SMILES

COC(CC1=CC=C(C=C1)OCCCC=C2C3=CC=CC=C3OCOC4=CC=CC=C42)C(=O)O

InChI

InChI=1S/C28H28O6/c1-31-27(28(29)30)18-20-13-15-21(16-14-20)32-17-7-6-8-22-23-9-2-4-11-25(23)33-19-34-26-12-5-3-10-24(22)26/h2-5,8-16,27H,6-7,17-19H2,1H3,(H,29,30)