2-(5-methoxy-4-oxidanylidene-spiro[3H-thiochromene-2,1'-cyclohexane]-7-yl)oxyethanoic acid

Systemtic Name: 2-(5-methoxy-4-oxidanylidene-spiro[3H-thiochromene-2,1'-cyclohexane]-7-yl)oxyethanoic acid Openeye Name: 2-(5'-methoxy-4'-oxo-spiro[cyclohexane-1,2'-thiochromane]-7'-yl)oxyacetic acid CAS Name: 2-[(5-methoxy-4-oxo-7-spiro[3H-1-benzothiopyran-2,1'-cyclohexane]yl)oxy]acetic acid IUPAC Name: 2-(5-methoxy-4-oxospiro[3H-thiochromene-2,1'-cyclohexane]-7-yl)oxyacetic acid Traditional Name: 2-(4'-keto-5'-methoxy-spiro[cyclohexane-1,2'-thiochroman]-7'-yl)oxyacetic acid Formula: C17H20O5S MolecularWeight: 336.4027

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=O)CC3(CCCCC3)SC2=CC(=C1)OCC(=O)O

Isomeric SMILES

COC1=C2C(=O)CC3(CCCCC3)SC2=CC(=C1)OCC(=O)O

InChI

InChI=1S/C17H20O5S/c1-21-13-7-11(22-10-15(19)20)8-14-16(13)12(18)9-17(23-14)5-3-2-4-6-17/h7-8H,2-6,9-10H2,1H3,(H,19,20)