2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitro-phenolate

Systemtic Name: 2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitro-phenolate Openeye Name: 2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitro-phenolate CAS Name: 2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenolate IUPAC Name: 2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenolate Traditional Name: 2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitro-phenolate Formula: C18H18NO3S2- MolecularWeight: 360.47042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2SCC3=CC(=C(C=C3CS2)C)C)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C2SCC3=CC(=C(C=C3CS2)C)C)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H19NO3S2/c1-10-4-15(17(20)16(5-10)19(21)22)18-23-8-13-6-11(2)12(3)7-14(13)9-24-18/h4-7,18,20H,8-9H2,1-3H3/p-1