(2-oxidanylidene-7-phenyl-1,3-benzoxathiol-5-yl) pentanoate

Systemtic Name: (2-oxidanylidene-7-phenyl-1,3-benzoxathiol-5-yl) pentanoate Openeye Name: (2-oxo-7-phenyl-1,3-benzoxathiol-5-yl) pentanoate CAS Name: pentanoic acid (2-oxo-7-phenyl-1,3-benzoxathiol-5-yl) ester IUPAC Name: (2-oxo-7-phenyl-1,3-benzoxathiol-5-yl) pentanoate Traditional Name: valeric acid (2-keto-7-phenyl-1,3-benzoxathiol-5-yl) ester Formula: C18H16O4S MolecularWeight: 328.38224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=CC2=C(C(=C1)C3=CC=CC=C3)OC(=O)S2

Isomeric SMILES

CCCCC(=O)OC1=CC2=C(C(=C1)C3=CC=CC=C3)OC(=O)S2

InChI

InChI=1S/C18H16O4S/c1-2-3-9-16(19)21-13-10-14(12-7-5-4-6-8-12)17-15(11-13)23-18(20)22-17/h4-8,10-11H,2-3,9H2,1H3