5-[isocyano-(4-methylphenyl)sulfonyl-methyl]-1,3-benzodioxole

Systemtic Name: 5-[isocyano-(4-methylphenyl)sulfonyl-methyl]-1,3-benzodioxole Openeye Name: 5-[isocyano(p-tolylsulfonyl)methyl]-1,3-benzodioxole CAS Name: 5-[isocyano-(4-methylphenyl)sulfonylmethyl]-1,3-benzodioxole IUPAC Name: 5-[isocyano-(4-methylphenyl)sulfonylmethyl]-1,3-benzodioxole Traditional Name: 5-[isocyano(tosyl)methyl]-1,3-benzodioxole Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC3=C(C=C2)OCO3)[N+]#[C-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC3=C(C=C2)OCO3)[N+]#[C-]

InChI

InChI=1S/C16H13NO4S/c1-11-3-6-13(7-4-11)22(18,19)16(17-2)12-5-8-14-15(9-12)21-10-20-14/h3-9,16H,10H2,1H3