S-octyl 2-oxidanylidenechromene-3-carbothioate

Systemtic Name: S-octyl 2-oxidanylidenechromene-3-carbothioate Openeye Name: S-octyl 2-oxochromene-3-carbothioate CAS Name: 2-oxo-1-benzopyran-3-carbothioic acid S-octyl ester IUPAC Name: S-octyl 2-oxochromene-3-carbothioate Traditional Name: 2-ketochromene-3-carbothioic acid S-octyl ester Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(=O)C1=CC2=CC=CC=C2OC1=O

Isomeric SMILES

CCCCCCCCSC(=O)C1=CC2=CC=CC=C2OC1=O

InChI

InChI=1S/C18H22O3S/c1-2-3-4-5-6-9-12-22-18(20)15-13-14-10-7-8-11-16(14)21-17(15)19/h7-8,10-11,13H,2-6,9,12H2,1H3