2-[[(2Z)-2-(5-tert-butyl-1,3-benzodithiol-2-ylidene)-1-oxidanylidene-3H-inden-5-yl]oxy]ethanoic acid

Systemtic Name: 2-[[(2Z)-2-(5-tert-butyl-1,3-benzodithiol-2-ylidene)-1-oxidanylidene-3H-inden-5-yl]oxy]ethanoic acid Openeye Name: 2-[(2Z)-2-(5-tert-butyl-1,3-benzodithiol-2-ylidene)-1-oxo-indan-5-yl]oxyacetic acid CAS Name: 2-[[(2Z)-2-(5-tert-butyl-1,3-benzodithiol-2-ylidene)-1-oxo-3H-inden-5-yl]oxy]acetic acid IUPAC Name: 2-[[(2Z)-2-(5-tert-butyl-1,3-benzodithiol-2-ylidene)-1-oxo-3H-inden-5-yl]oxy]acetic acid Traditional Name: 2-[(2Z)-2-(5-tert-butyl-1,3-benzodithiol-2-ylidene)-1-keto-indan-5-yl]oxyacetic acid Formula: C22H20O4S2 MolecularWeight: 412.5218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)SC(=C3CC4=C(C3=O)C=CC(=C4)OCC(=O)O)S2

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)S/C(=C/3\CC4=C(C3=O)C=CC(=C4)OCC(=O)O)/S2

InChI

InChI=1S/C22H20O4S2/c1-22(2,3)13-4-7-17-18(10-13)28-21(27-17)16-9-12-8-14(26-11-19(23)24)5-6-15(12)20(16)25/h4-8,10H,9,11H2,1-3H3,(H,23,24)/b21-16-