9,9-bis(2-chloroethyl)-2-methoxy-thioxanthene

Systemtic Name: 9,9-bis(2-chloroethyl)-2-methoxy-thioxanthene Openeye Name: 9,9-bis(2-chloroethyl)-2-methoxy-thioxanthene CAS Name: 9,9-bis(2-chloroethyl)-2-methoxythioxanthene IUPAC Name: 9,9-bis(2-chloroethyl)-2-methoxythioxanthene Traditional Name: 9,9-bis(2-chloroethyl)-2-methoxy-thioxanthene Formula: C18H18Cl2OS MolecularWeight: 353.30592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC3=CC=CC=C3C2(CCCl)CCCl

Isomeric SMILES

COC1=CC2=C(C=C1)SC3=CC=CC=C3C2(CCCl)CCCl

InChI

InChI=1S/C18H18Cl2OS/c1-21-13-6-7-17-15(12-13)18(8-10-19,9-11-20)14-4-2-3-5-16(14)22-17/h2-7,12H,8-11H2,1H3