[2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] 4-iodanylbenzoate

Systemtic Name: [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] 4-iodanylbenzoate Openeye Name: [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] ester IUPAC Name: [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] ester Formula: C24H21IO2S2 MolecularWeight: 532.45681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CSC(SCC2=C1)C3=CC=CC=C3OC(=O)C4=CC=C(C=C4)I)C

Isomeric SMILES

CC1=C(C=C2CSC(SCC2=C1)C3=CC=CC=C3OC(=O)C4=CC=C(C=C4)I)C

InChI

InChI=1S/C24H21IO2S2/c1-15-11-18-13-28-24(29-14-19(18)12-16(15)2)21-5-3-4-6-22(21)27-23(26)17-7-9-20(25)10-8-17/h3-12,24H,13-14H2,1-2H3