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

Systemtic Name: [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] 4-tert-butylbenzoate Openeye Name: [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic 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-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] ester Formula: C28H30O2S2 MolecularWeight: 462.6666

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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)C(C)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H30O2S2/c1-18-14-21-16-31-27(32-17-22(21)15-19(18)2)24-8-6-7-9-25(24)30-26(29)20-10-12-23(13-11-20)28(3,4)5/h6-15,27H,16-17H2,1-5H3