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

Systemtic Name: 3-(4-chlorophenyl)sulfonyl-6-hexyl-7-oxidanyl-chromen-2-one Openeye Name: 3-(4-chlorophenyl)sulfonyl-6-hexyl-7-hydroxy-chromen-2-one CAS Name: 3-(4-chlorophenyl)sulfonyl-6-hexyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 3-(4-chlorophenyl)sulfonyl-6-hexyl-7-hydroxychromen-2-one Traditional Name: 3-(4-chlorophenyl)sulfonyl-6-hexyl-7-hydroxy-coumarin Formula: C21H21ClO5S MolecularWeight: 420.90644

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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)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClO5S/c1-2-3-4-5-6-14-11-15-12-20(21(24)27-19(15)13-18(14)23)28(25,26)17-9-7-16(22)8-10-17/h7-13,23H,2-6H2,1H3