7-(4-butylphenyl)-5-oxidanyl-1,3-benzoxathiol-2-one

Systemtic Name: 7-(4-butylphenyl)-5-oxidanyl-1,3-benzoxathiol-2-one Openeye Name: 7-(4-butylphenyl)-5-hydroxy-1,3-benzoxathiol-2-one CAS Name: 7-(4-butylphenyl)-5-hydroxy-1,3-benzoxathiol-2-one IUPAC Name: 7-(4-butylphenyl)-5-hydroxy-1,3-benzoxathiol-2-one Traditional Name: 7-(4-butylphenyl)-5-hydroxy-1,3-benzoxathiol-2-one Formula: C17H16O3S MolecularWeight: 300.37214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)O

InChI

InChI=1S/C17H16O3S/c1-2-3-4-11-5-7-12(8-6-11)14-9-13(18)10-15-16(14)20-17(19)21-15/h5-10,18H,2-4H2,1H3