3-(4-methylphenyl)sulfonyl-7-propoxy-chromen-2-one

Systemtic Name: 3-(4-methylphenyl)sulfonyl-7-propoxy-chromen-2-one Openeye Name: 7-propoxy-3-(p-tolylsulfonyl)chromen-2-one CAS Name: 3-(4-methylphenyl)sulfonyl-7-propoxy-1-benzopyran-2-one IUPAC Name: 3-(4-methylphenyl)sulfonyl-7-propoxychromen-2-one Traditional Name: 7-propoxy-3-tosyl-coumarin Formula: C19H18O5S MolecularWeight: 358.40822

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)C=C(C(=O)O2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCOC1=CC2=C(C=C1)C=C(C(=O)O2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H18O5S/c1-3-10-23-15-7-6-14-11-18(19(20)24-17(14)12-15)25(21,22)16-8-4-13(2)5-9-16/h4-9,11-12H,3,10H2,1-2H3