2-(8-iodanyloctyl)-7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromene

Systemtic Name: 2-(8-iodanyloctyl)-7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromene Openeye Name: 2-(8-iodooctyl)-7-methoxy-3-(4-methoxyphenyl)-3-methyl-thiochromane CAS Name: 2-(8-iodooctyl)-7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran IUPAC Name: 2-(8-iodooctyl)-7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromene Traditional Name: 2-(8-iodooctyl)-7-methoxy-3-(4-methoxyphenyl)-3-methyl-thiochroman Formula: C26H35IO2S MolecularWeight: 538.52437

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=C(C=C2)OC)SC1CCCCCCCCI)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1(CC2=C(C=C(C=C2)OC)SC1CCCCCCCCI)C3=CC=C(C=C3)OC

InChI

InChI=1S/C26H35IO2S/c1-26(21-12-15-22(28-2)16-13-21)19-20-11-14-23(29-3)18-24(20)30-25(26)10-8-6-4-5-7-9-17-27/h11-16,18,25H,4-10,17,19H2,1-3H3