4-(9-iodanylnonyl)-7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromene

Systemtic Name: 4-(9-iodanylnonyl)-7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromene Openeye Name: 4-(9-iodononyl)-7-methoxy-3-(4-methoxyphenyl)-3-methyl-thiochromane CAS Name: 4-(9-iodononyl)-7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran IUPAC Name: 4-(9-iodononyl)-7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromene Traditional Name: 4-(9-iodononyl)-7-methoxy-3-(4-methoxyphenyl)-3-methyl-thiochroman Formula: C27H37IO2S MolecularWeight: 552.55095

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=C(C1CCCCCCCCCI)C=CC(=C2)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1(CSC2=C(C1CCCCCCCCCI)C=CC(=C2)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C27H37IO2S/c1-27(21-12-14-22(29-2)15-13-21)20-31-26-19-23(30-3)16-17-24(26)25(27)11-9-7-5-4-6-8-10-18-28/h12-17,19,25H,4-11,18,20H2,1-3H3