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

Systemtic Name: [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] 2-methoxybenzoate Openeye Name: [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] 2-methoxybenzoate CAS Name: 2-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] 2-methoxybenzoate Traditional Name: 2-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=CC=C4OC)C

Isomeric SMILES

CC1=C(C=C2CSC(SCC2=C1)C3=CC=CC=C3OC(=O)C4=CC=CC=C4OC)C

InChI

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