4-[1-(7-methoxy-1,3-benzodioxol-5-yl)-2-oxidanyl-2-oxidanylidene-ethoxy]-3,5-dipropyl-benzoic acid

Systemtic Name: 4-[1-(7-methoxy-1,3-benzodioxol-5-yl)-2-oxidanyl-2-oxidanylidene-ethoxy]-3,5-dipropyl-benzoic acid Openeye Name: 4-[2-hydroxy-1-(7-methoxy-1,3-benzodioxol-5-yl)-2-oxo-ethoxy]-3,5-dipropyl-benzoic acid CAS Name: 4-[2-hydroxy-1-(7-methoxy-1,3-benzodioxol-5-yl)-2-oxoethoxy]-3,5-dipropylbenzoic acid IUPAC Name: 4-[2-hydroxy-1-(7-methoxy-1,3-benzodioxol-5-yl)-2-oxoethoxy]-3,5-dipropylbenzoic acid Traditional Name: 4-[2-hydroxy-2-keto-1-(7-methoxy-1,3-benzodioxol-5-yl)ethoxy]-3,5-dipropyl-benzoic acid Formula: C23H26O8 MolecularWeight: 430.44774

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1OC(C2=CC3=C(C(=C2)OC)OCO3)C(=O)O)CCC)C(=O)O

Isomeric SMILES

CCCC1=CC(=CC(=C1OC(C2=CC3=C(C(=C2)OC)OCO3)C(=O)O)CCC)C(=O)O

InChI

InChI=1S/C23H26O8/c1-4-6-13-8-16(22(24)25)9-14(7-5-2)19(13)31-20(23(26)27)15-10-17(28-3)21-18(11-15)29-12-30-21/h8-11,20H,4-7,12H2,1-3H3,(H,24,25)(H,26,27)