5-chloranyl-6-[(4-methyl-2-nitro-phenyl)sulfanylmethyl]-1,3-benzodioxole

Systemtic Name: 5-chloranyl-6-[(4-methyl-2-nitro-phenyl)sulfanylmethyl]-1,3-benzodioxole Openeye Name: 5-chloro-6-[(4-methyl-2-nitro-phenyl)sulfanylmethyl]-1,3-benzodioxole CAS Name: 5-chloro-6-[[(4-methyl-2-nitrophenyl)thio]methyl]-1,3-benzodioxole IUPAC Name: 5-chloro-6-[(4-methyl-2-nitrophenyl)sulfanylmethyl]-1,3-benzodioxole Traditional Name: 5-chloro-6-[[(4-methyl-2-nitro-phenyl)thio]methyl]-1,3-benzodioxole Formula: C15H12ClNO4S MolecularWeight: 337.77808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC3=C(C=C2Cl)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC3=C(C=C2Cl)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C15H12ClNO4S/c1-9-2-3-15(12(4-9)17(18)19)22-7-10-5-13-14(6-11(10)16)21-8-20-13/h2-6H,7-8H2,1H3