6-(6-butanoylsulfonyl-1-benzothiophen-2-yl)-2-butan-2-ylsulfonyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-(6-butanoylsulfonyl-1-benzothiophen-2-yl)-2-butan-2-ylsulfonyl-cyclohexa-2,4-dien-1-one Openeye Name: 6-(6-butanoylsulfonylbenzothiophen-2-yl)-2-sec-butylsulfonyl-cyclohexa-2,4-dien-1-one CAS Name: 2-butan-2-ylsulfonyl-6-[6-(1-oxobutylsulfonyl)-1-benzothiophen-2-yl]-1-cyclohexa-2,4-dienone IUPAC Name: 6-(6-butanoylsulfonyl-1-benzothiophen-2-yl)-2-butan-2-ylsulfonylcyclohexa-2,4-dien-1-one Traditional Name: 6-(6-butyrylsulfonylbenzothiophen-2-yl)-2-sec-butylsulfonyl-cyclohexa-2,4-dien-1-one Formula: C22H24O6S3 MolecularWeight: 480.61736

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)S(=O)(=O)C1=CC2=C(C=C1)C=C(S2)C3C=CC=C(C3=O)S(=O)(=O)C(C)CC

Isomeric SMILES

CCCC(=O)S(=O)(=O)C1=CC2=C(C=C1)C=C(S2)C3C=CC=C(C3=O)S(=O)(=O)C(C)CC

InChI

InChI=1S/C22H24O6S3/c1-4-7-21(23)31(27,28)16-11-10-15-12-19(29-18(15)13-16)17-8-6-9-20(22(17)24)30(25,26)14(3)5-2/h6,8-14,17H,4-5,7H2,1-3H3