4-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)heptoxy]benzoic acid

Systemtic Name: 4-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)heptoxy]benzoic acid Openeye Name: 4-[2-(4,4-dimethylchroman-6-yl)heptoxy]benzoic acid CAS Name: 4-[2-(4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)heptoxy]benzoic acid IUPAC Name: 4-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)heptoxy]benzoic acid Traditional Name: 4-[2-(4,4-dimethylchroman-6-yl)heptoxy]benzoic acid Formula: C25H32O4 MolecularWeight: 396.51918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(COC1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)OCCC3(C)C

Isomeric SMILES

CCCCCC(COC1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)OCCC3(C)C

InChI

InChI=1S/C25H32O4/c1-4-5-6-7-20(17-29-21-11-8-18(9-12-21)24(26)27)19-10-13-23-22(16-19)25(2,3)14-15-28-23/h8-13,16,20H,4-7,14-15,17H2,1-3H3,(H,26,27)