6-hexyl-3-(4-methylphenyl)sulfonyl-7-oxidanyl-chromen-2-one

Systemtic Name: 6-hexyl-3-(4-methylphenyl)sulfonyl-7-oxidanyl-chromen-2-one Openeye Name: 6-hexyl-7-hydroxy-3-(p-tolylsulfonyl)chromen-2-one CAS Name: 6-hexyl-7-hydroxy-3-(4-methylphenyl)sulfonyl-1-benzopyran-2-one IUPAC Name: 6-hexyl-7-hydroxy-3-(4-methylphenyl)sulfonylchromen-2-one Traditional Name: 6-hexyl-7-hydroxy-3-tosyl-coumarin Formula: C22H24O5S MolecularWeight: 400.48796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)S(=O)(=O)C3=CC=C(C=C3)C)O

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)S(=O)(=O)C3=CC=C(C=C3)C)O

InChI

InChI=1S/C22H24O5S/c1-3-4-5-6-7-16-12-17-13-21(22(24)27-20(17)14-19(16)23)28(25,26)18-10-8-15(2)9-11-18/h8-14,23H,3-7H2,1-2H3