2-[(E)-4-chloranylbut-3-enyl]-4-ethoxy-2-ethyl-6-iodanyl-5-methoxy-7-(2,5,5-trimethylhexan-2-yl)-3,4-dihydrothiochromene

Systemtic Name: 2-[(E)-4-chloranylbut-3-enyl]-4-ethoxy-2-ethyl-6-iodanyl-5-methoxy-7-(2,5,5-trimethylhexan-2-yl)-3,4-dihydrothiochromene Openeye Name: 2-[(E)-4-chlorobut-3-enyl]-4-ethoxy-2-ethyl-6-iodo-5-methoxy-7-(1,1,4,4-tetramethylpentyl)thiochromane CAS Name: 2-[(E)-4-chlorobut-3-enyl]-4-ethoxy-2-ethyl-6-iodo-5-methoxy-7-(2,5,5-trimethylhexan-2-yl)-3,4-dihydro-1-benzothiopyran IUPAC Name: 2-[(E)-4-chlorobut-3-enyl]-4-ethoxy-2-ethyl-6-iodo-5-methoxy-7-(2,5,5-trimethylhexan-2-yl)-3,4-dihydrothiochromene Traditional Name: 2-[(E)-4-chlorobut-3-enyl]-4-ethoxy-2-ethyl-6-iodo-5-methoxy-7-(1,1,4,4-tetramethylpentyl)thiochroman Formula: C27H42ClIO2S MolecularWeight: 593.04365

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(C2=C(S1)C=C(C(=C2OC)I)C(C)(C)CCC(C)(C)C)OCC)CCC=CCl

Isomeric SMILES

CCC1(CC(C2=C(S1)C=C(C(=C2OC)I)C(C)(C)CCC(C)(C)C)OCC)CC/C=C/Cl

InChI

InChI=1S/C27H42ClIO2S/c1-9-27(13-11-12-16-28)18-20(31-10-2)22-21(32-27)17-19(23(29)24(22)30-8)26(6,7)15-14-25(3,4)5/h12,16-17,20H,9-11,13-15,18H2,1-8H3/b16-12+