4-[4-[3-[4-(3-ethoxy-2-methoxy-3-oxidanylidene-propyl)phenoxy]propoxy]phenyl]benzoic acid

Systemtic Name: 4-[4-[3-[4-(3-ethoxy-2-methoxy-3-oxidanylidene-propyl)phenoxy]propoxy]phenyl]benzoic acid Openeye Name: 4-[4-[3-[4-(3-ethoxy-2-methoxy-3-oxo-propyl)phenoxy]propoxy]phenyl]benzoic acid CAS Name: 4-[4-[3-[4-(3-ethoxy-2-methoxy-3-oxopropyl)phenoxy]propoxy]phenyl]benzoic acid IUPAC Name: 4-[4-[3-[4-(3-ethoxy-2-methoxy-3-oxopropyl)phenoxy]propoxy]phenyl]benzoic acid Traditional Name: 4-[4-[3-[4-(3-ethoxy-3-keto-2-methoxy-propyl)phenoxy]propoxy]phenyl]benzoic acid Formula: C28H30O7 MolecularWeight: 478.5336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OCCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OCCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C28H30O7/c1-3-33-28(31)26(32-2)19-20-5-13-24(14-6-20)34-17-4-18-35-25-15-11-22(12-16-25)21-7-9-23(10-8-21)27(29)30/h5-16,26H,3-4,17-19H2,1-2H3,(H,29,30)