1,1,1-trideuterio-5-[9-(1,3-dithian-2-yl)-6-methyl-1-oxidanyl-6-(trideuteriomethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-3-yl]pentan-2-one

Systemtic Name: 1,1,1-trideuterio-5-[9-(1,3-dithian-2-yl)-6-methyl-1-oxidanyl-6-(trideuteriomethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-3-yl]pentan-2-one Openeye Name: 1,1,1-trideuterio-5-[9-(1,3-dithian-2-yl)-1-hydroxy-6-methyl-6-(trideuteriomethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-3-yl]pentan-2-one CAS Name: 1,1,1-trideuterio-5-[9-(1,3-dithian-2-yl)-1-hydroxy-6-methyl-6-(trideuteriomethyl)-6a,7,8,10a-tetrahydrobenzo[c][1]benzopyran-3-yl]-2-pentanone IUPAC Name: 1,1,1-trideuterio-5-[9-(1,3-dithian-2-yl)-1-hydroxy-6-methyl-6-(trideuteriomethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-3-yl]pentan-2-one Traditional Name: 1,1,1-trideuterio-5-[9-(1,3-dithian-2-yl)-1-hydroxy-6-methyl-6-(trideuteriomethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-3-yl]pentan-2-one Formula: C24H32O3S2 MolecularWeight: 438.676051

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C4SCCCS4)C(=C1)O

Isomeric SMILES

[2H]C([2H])([2H])C(=O)CCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C([2H])([2H])[2H])C4SCCCS4)C(=C1)O

InChI

InChI=1S/C24H32O3S2/c1-15(25)6-4-7-16-12-20(26)22-18-14-17(23-28-10-5-11-29-23)8-9-19(18)24(2,3)27-21(22)13-16/h12-14,18-19,23,26H,4-11H2,1-3H3/i1D3,2D3