4-[6-(6,7-dimethoxynaphthalen-2-yl)-6-oxidanylidene-hexoxy]-2-oxidanyl-3-propyl-benzoic acid

Systemtic Name: 4-[6-(6,7-dimethoxynaphthalen-2-yl)-6-oxidanylidene-hexoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[6-(6,7-dimethoxy-2-naphthyl)-6-oxo-hexoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[6-(6,7-dimethoxy-2-naphthalenyl)-6-oxohexoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[6-(6,7-dimethoxynaphthalen-2-yl)-6-oxohexoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[6-(6,7-dimethoxy-2-naphthyl)-6-keto-hexoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C28H32O7 MolecularWeight: 480.54948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCC(=O)C2=CC3=CC(=C(C=C3C=C2)OC)OC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCC(=O)C2=CC3=CC(=C(C=C3C=C2)OC)OC

InChI

InChI=1S/C28H32O7/c1-4-8-21-24(13-12-22(27(21)30)28(31)32)35-14-7-5-6-9-23(29)19-11-10-18-16-25(33-2)26(34-3)17-20(18)15-19/h10-13,15-17,30H,4-9,14H2,1-3H3,(H,31,32)