2,7-bis(4-chloranyl-1,1-diethoxy-butyl)-9H-thioxanthene

Systemtic Name: 2,7-bis(4-chloranyl-1,1-diethoxy-butyl)-9H-thioxanthene Openeye Name: 2,7-bis(4-chloro-1,1-diethoxy-butyl)-9H-thioxanthene CAS Name: 2,7-bis(4-chloro-1,1-diethoxybutyl)-9H-thioxanthene IUPAC Name: 2,7-bis(4-chloro-1,1-diethoxybutyl)-9H-thioxanthene Traditional Name: 2,7-bis(4-chloro-1,1-diethoxy-butyl)-9H-thioxanthene Formula: C29H40Cl2O4S MolecularWeight: 555.5965

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCCCl)(C1=CC2=C(C=C1)SC3=C(C2)C=C(C=C3)C(CCCCl)(OCC)OCC)OCC

Isomeric SMILES

CCOC(CCCCl)(C1=CC2=C(C=C1)SC3=C(C2)C=C(C=C3)C(CCCCl)(OCC)OCC)OCC

InChI

InChI=1S/C29H40Cl2O4S/c1-5-32-28(33-6-2,15-9-17-30)24-11-13-26-22(20-24)19-23-21-25(12-14-27(23)36-26)29(34-7-3,35-8-4)16-10-18-31/h11-14,20-21H,5-10,15-19H2,1-4H3