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

Systemtic Name: 4-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)heptanoyloxy]benzoic acid Openeye Name: 4-[2-(4,4-dimethylchroman-6-yl)heptanoyloxy]benzoic acid CAS Name: 4-[2-(4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-1-oxoheptoxy]benzoic acid IUPAC Name: 4-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)heptanoyloxy]benzoic acid Traditional Name: 4-[2-(4,4-dimethylchroman-6-yl)heptanoyloxy]benzoic acid Formula: C25H30O5 MolecularWeight: 410.5027

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC2=C(C=C1)OCCC2(C)C)C(=O)OC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCC(C1=CC2=C(C=C1)OCCC2(C)C)C(=O)OC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H30O5/c1-4-5-6-7-20(24(28)30-19-11-8-17(9-12-19)23(26)27)18-10-13-22-21(16-18)25(2,3)14-15-29-22/h8-13,16,20H,4-7,14-15H2,1-3H3,(H,26,27)