methyl 4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)heptoxy]benzoate

Systemtic Name: methyl 4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)heptoxy]benzoate Openeye Name: methyl 4-[2-(4,4-dimethylthiochroman-6-yl)heptoxy]benzoate CAS Name: 4-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)heptoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)heptoxy]benzoate Traditional Name: 4-[2-(4,4-dimethylthiochroman-6-yl)heptoxy]benzoic acid methyl ester Formula: C26H34O3S MolecularWeight: 426.61136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(COC1=CC=C(C=C1)C(=O)OC)C2=CC3=C(C=C2)SCCC3(C)C

Isomeric SMILES

CCCCCC(COC1=CC=C(C=C1)C(=O)OC)C2=CC3=C(C=C2)SCCC3(C)C

InChI

InChI=1S/C26H34O3S/c1-5-6-7-8-21(18-29-22-12-9-19(10-13-22)25(27)28-4)20-11-14-24-23(17-20)26(2,3)15-16-30-24/h9-14,17,21H,5-8,15-16,18H2,1-4H3