methyl 4-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)-1,3-dithian-2-yl]benzoate

Systemtic Name: methyl 4-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)-1,3-dithian-2-yl]benzoate Openeye Name: methyl 4-[2-(4,4-dimethylchroman-6-yl)-1,3-dithian-2-yl]benzoate CAS Name: 4-[2-(4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-1,3-dithian-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)-1,3-dithian-2-yl]benzoate Traditional Name: 4-[2-(4,4-dimethylchroman-6-yl)-1,3-dithian-2-yl]benzoic acid methyl ester Formula: C23H26O3S2 MolecularWeight: 414.58074

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCOC2=C1C=C(C=C2)C3(SCCCS3)C4=CC=C(C=C4)C(=O)OC)C

Isomeric SMILES

CC1(CCOC2=C1C=C(C=C2)C3(SCCCS3)C4=CC=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C23H26O3S2/c1-22(2)11-12-26-20-10-9-18(15-19(20)22)23(27-13-4-14-28-23)17-7-5-16(6-8-17)21(24)25-3/h5-10,15H,4,11-14H2,1-3H3