5-[bis(5-tert-butylfuran-2-yl)methyl]-6-isothiocyanato-1,3-benzodioxole

Systemtic Name: 5-[bis(5-tert-butylfuran-2-yl)methyl]-6-isothiocyanato-1,3-benzodioxole Openeye Name: 5-[bis(5-tert-butyl-2-furyl)methyl]-6-isothiocyanato-1,3-benzodioxole CAS Name: 5-[bis(5-tert-butyl-2-furanyl)methyl]-6-isothiocyanato-1,3-benzodioxole IUPAC Name: 5-[bis(5-tert-butylfuran-2-yl)methyl]-6-isothiocyanato-1,3-benzodioxole Traditional Name: 5-[bis(5-tert-butyl-2-furyl)methyl]-6-isothiocyanato-1,3-benzodioxole Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(O1)C(C2=CC=C(O2)C(C)(C)C)C3=CC4=C(C=C3N=C=S)OCO4

Isomeric SMILES

CC(C)(C)C1=CC=C(O1)C(C2=CC=C(O2)C(C)(C)C)C3=CC4=C(C=C3N=C=S)OCO4

InChI

InChI=1S/C25H27NO4S/c1-24(2,3)21-9-7-17(29-21)23(18-8-10-22(30-18)25(4,5)6)15-11-19-20(28-14-27-19)12-16(15)26-13-31/h7-12,23H,14H2,1-6H3