O-ethyl (1,2,3,4,5-pentakis-phenylcyclopenta-2,4-dien-1-yl)sulfanylmethanethioate

Systemtic Name: O-ethyl (1,2,3,4,5-pentakis-phenylcyclopenta-2,4-dien-1-yl)sulfanylmethanethioate Openeye Name: O-ethyl (1,2,3,4,5-pentakis-phenylcyclopenta-2,4-dien-1-yl)sulfanylmethanethioate CAS Name: [(1,2,3,4,5-pentakis-phenyl-1-cyclopenta-2,4-dienyl)thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl (1,2,3,4,5-pentakis-phenylcyclopenta-2,4-dien-1-yl)sulfanylmethanethioate Traditional Name: [(1,2,3,4,5-pentakis-phenylcyclopenta-2,4-dien-1-yl)thio]methanethioic acid O-ethyl ester Formula: C38H30OS2 MolecularWeight: 566.7742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC1(C(=C(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCOC(=S)SC1(C(=C(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C38H30OS2/c1-2-39-37(40)41-38(32-26-16-7-17-27-32)35(30-22-12-5-13-23-30)33(28-18-8-3-9-19-28)34(29-20-10-4-11-21-29)36(38)31-24-14-6-15-25-31/h3-27H,2H2,1H3