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

Systemtic Name: 1-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitro-naphthalen-2-ol Openeye Name: 1-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitro-naphthalen-2-ol CAS Name: 1-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitro-2-naphthalenol IUPAC Name: 1-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitronaphthalen-2-ol Traditional Name: 1-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitro-2-naphthol Formula: C21H19NO3S2 MolecularWeight: 397.51046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CSC(SCC2=C1)C3=C(C=CC4=C3C=CC(=C4)[N+](=O)[O-])O)C

Isomeric SMILES

CC1=C(C=C2CSC(SCC2=C1)C3=C(C=CC4=C3C=CC(=C4)[N+](=O)[O-])O)C

InChI

InChI=1S/C21H19NO3S2/c1-12-7-15-10-26-21(27-11-16(15)8-13(12)2)20-18-5-4-17(22(24)25)9-14(18)3-6-19(20)23/h3-9,21,23H,10-11H2,1-2H3