4-[5-(6,7-dimethoxynaphthalen-2-yl)pentoxy]-2-oxidanyl-3-propyl-benzoic acid

Systemtic Name: 4-[5-(6,7-dimethoxynaphthalen-2-yl)pentoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[5-(6,7-dimethoxy-2-naphthyl)pentoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[5-(6,7-dimethoxy-2-naphthalenyl)pentoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[5-(6,7-dimethoxynaphthalen-2-yl)pentoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[5-(6,7-dimethoxy-2-naphthyl)pentoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C27H32O6 MolecularWeight: 452.53938

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCC2=CC3=CC(=C(C=C3C=C2)OC)OC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCC2=CC3=CC(=C(C=C3C=C2)OC)OC

InChI

InChI=1S/C27H32O6/c1-4-8-21-23(13-12-22(26(21)28)27(29)30)33-14-7-5-6-9-18-10-11-19-16-24(31-2)25(32-3)17-20(19)15-18/h10-13,15-17,28H,4-9,14H2,1-3H3,(H,29,30)