4-(3-oxidanylidene-3-pentoxy-2-pentoxycarbonyl-prop-1-enyl)benzoic acid

Systemtic Name: 4-(3-oxidanylidene-3-pentoxy-2-pentoxycarbonyl-prop-1-enyl)benzoic acid Openeye Name: 4-(3-oxo-3-pentoxy-2-pentoxycarbonyl-prop-1-enyl)benzoic acid CAS Name: 4-[3-oxo-2-[oxo(pentoxy)methyl]-3-pentoxyprop-1-enyl]benzoic acid IUPAC Name: 4-(3-oxo-3-pentoxy-2-pentoxycarbonylprop-1-enyl)benzoic acid Traditional Name: 4-(3-amoxy-2-amoxycarbonyl-3-keto-prop-1-enyl)benzoic acid Formula: C21H28O6 MolecularWeight: 376.44342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C(=O)OCCCCC

Isomeric SMILES

CCCCCOC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C(=O)OCCCCC

InChI

InChI=1S/C21H28O6/c1-3-5-7-13-26-20(24)18(21(25)27-14-8-6-4-2)15-16-9-11-17(12-10-16)19(22)23/h9-12,15H,3-8,13-14H2,1-2H3,(H,22,23)