S1,S3-bis(4-phenylphenyl) 2,4-bis(4-octoxyphenyl)cyclobutane-1,3-dicarbothioate

Systemtic Name: S1,S3-bis(4-phenylphenyl) 2,4-bis(4-octoxyphenyl)cyclobutane-1,3-dicarbothioate Openeye Name: S1,S3-bis(4-phenylphenyl) 2,4-bis(4-octoxyphenyl)cyclobutane-1,3-dicarbothioate CAS Name: 2,4-bis(4-octoxyphenyl)cyclobutane-1,3-dicarbothioic acid S1,S3-bis(4-phenylphenyl) ester IUPAC Name: 1-S,3-S-bis(4-phenylphenyl) 2,4-bis(4-octoxyphenyl)cyclobutane-1,3-dicarbothioate Traditional Name: 2,4-bis(4-octoxyphenyl)cyclobutane-1,3-dicarbothioic acid S1,S3-bis(4-phenylphenyl) ester Formula: C58H64O4S2 MolecularWeight: 889.25636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2C(C(C2C(=O)SC3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)OCCCCCCCC)C(=O)SC6=CC=C(C=C6)C7=CC=CC=C7

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2C(C(C2C(=O)SC3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)OCCCCCCCC)C(=O)SC6=CC=C(C=C6)C7=CC=CC=C7

InChI

InChI=1S/C58H64O4S2/c1-3-5-7-9-11-19-41-61-49-33-25-47(26-34-49)53-55(57(59)63-51-37-29-45(30-38-51)43-21-15-13-16-22-43)54(48-27-35-50(36-28-48)62-42-20-12-10-8-6-4-2)56(53)58(60)64-52-39-31-46(32-40-52)44-23-17-14-18-24-44/h13-18,21-40,53-56H,3-12,19-20,41-42H2,1-2H3