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

Systemtic Name: 2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-nitro-phenolate Openeye Name: 2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-nitro-phenolate CAS Name: 2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-nitrophenolate IUPAC Name: 2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-nitrophenolate Traditional Name: 2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-nitro-phenolate Formula: C17H16NO3S2- MolecularWeight: 346.44384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CSC(SCC2=C1)C3=C(C=CC(=C3)[N+](=O)[O-])[O-])C

Isomeric SMILES

CC1=C(C=C2CSC(SCC2=C1)C3=C(C=CC(=C3)[N+](=O)[O-])[O-])C

InChI

InChI=1S/C17H17NO3S2/c1-10-5-12-8-22-17(23-9-13(12)6-11(10)2)15-7-14(18(20)21)3-4-16(15)19/h3-7,17,19H,8-9H2,1-2H3/p-1