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

Systemtic Name: [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] naphthalene-1-carboxylate Openeye Name: [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic 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] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] ester Formula: C28H24O2S2 MolecularWeight: 456.61896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CSC(SCC2=C1)C3=CC=CC=C3OC(=O)C4=CC=CC5=CC=CC=C54)C

Isomeric SMILES

CC1=C(C=C2CSC(SCC2=C1)C3=CC=CC=C3OC(=O)C4=CC=CC5=CC=CC=C54)C

InChI

InChI=1S/C28H24O2S2/c1-18-14-21-16-31-28(32-17-22(21)15-19(18)2)25-11-5-6-13-26(25)30-27(29)24-12-7-9-20-8-3-4-10-23(20)24/h3-15,28H,16-17H2,1-2H3