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

Systemtic Name: [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] 4-methoxybenzoate Openeye Name: [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic 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-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] ester Formula: C25H24O3S2 MolecularWeight: 436.58626

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C25H24O3S2/c1-16-12-19-14-29-25(30-15-20(19)13-17(16)2)22-6-4-5-7-23(22)28-24(26)18-8-10-21(27-3)11-9-18/h4-13,25H,14-15H2,1-3H3