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

Systemtic Name: [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] pentanoate Openeye Name: [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] pentanoate CAS Name: pentanoic 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] pentanoate Traditional Name: valeric acid [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] ester Formula: C22H26O2S2 MolecularWeight: 386.57064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=CC=CC=C1C2SCC3=CC(=C(C=C3CS2)C)C

Isomeric SMILES

CCCCC(=O)OC1=CC=CC=C1C2SCC3=CC(=C(C=C3CS2)C)C

InChI

InChI=1S/C22H26O2S2/c1-4-5-10-21(23)24-20-9-7-6-8-19(20)22-25-13-17-11-15(2)16(3)12-18(17)14-26-22/h6-9,11-12,22H,4-5,10,13-14H2,1-3H3