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

Systemtic Name: 2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitro-phenol Openeye Name: 2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitro-phenol CAS Name: 2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitrophenol IUPAC Name: 2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitrophenol Traditional Name: 2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitro-phenol Formula: C17H17NO3S2 MolecularWeight: 347.45178

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