[5-(4-methylphenyl)sulfonyloxy-4-propyl-2-sulfanylidene-chromen-7-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-(4-methylphenyl)sulfonyloxy-4-propyl-2-sulfanylidene-chromen-7-yl] 4-methylbenzenesulfonate Openeye Name: [4-propyl-5-(p-tolylsulfonyloxy)-2-thioxo-chromen-7-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(4-methylphenyl)sulfonyloxy-4-propyl-2-sulfanylidene-1-benzopyran-7-yl] ester IUPAC Name: [5-(4-methylphenyl)sulfonyloxy-4-propyl-2-sulfanylidenechromen-7-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-propyl-2-thioxo-5-tosyloxy-chromen-7-yl) ester Formula: C26H24O7S3 MolecularWeight: 544.65956

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=S)OC2=CC(=CC(=C12)OS(=O)(=O)C3=CC=C(C=C3)C)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCC1=CC(=S)OC2=CC(=CC(=C12)OS(=O)(=O)C3=CC=C(C=C3)C)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H24O7S3/c1-4-5-19-14-25(34)31-23-15-20(32-35(27,28)21-10-6-17(2)7-11-21)16-24(26(19)23)33-36(29,30)22-12-8-18(3)9-13-22/h6-16H,4-5H2,1-3H3