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

Systemtic Name: 2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methoxy-6-nitro-phenolate Openeye Name: 2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methoxy-6-nitro-phenolate CAS Name: 2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methoxy-6-nitrophenolate IUPAC Name: 2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methoxy-6-nitrophenolate Traditional Name: 2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methoxy-6-nitro-phenolate Formula: C18H18NO4S2- MolecularWeight: 376.46982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO4S2/c1-10-4-12-8-24-18(25-9-13(12)5-11(10)2)15-6-14(23-3)7-16(17(15)20)19(21)22/h4-7,18,20H,8-9H2,1-3H3/p-1