5-ethyl-1,2,2,3,3,4,4,5-octamethyl-1-benzothiepin-1-ium

Systemtic Name: 5-ethyl-1,2,2,3,3,4,4,5-octamethyl-1-benzothiepin-1-ium Openeye Name: 5-ethyl-1,2,2,3,3,4,4,5-octamethyl-1-benzothiepin-1-ium CAS Name: 5-ethyl-1,2,2,3,3,4,4,5-octamethyl-1-benzothiepin-1-ium IUPAC Name: 5-ethyl-1,2,2,3,3,4,4,5-octamethyl-1-benzothiepin-1-ium Traditional Name: 5-ethyl-1,2,2,3,3,4,4,5-octamethyl-1-benzothiepin-1-ium Formula: C20H33S+ MolecularWeight: 305.54102

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=CC=CC=C2[S+](C(C(C1(C)C)(C)C)(C)C)C)C

Isomeric SMILES

CCC1(C2=CC=CC=C2[S+](C(C(C1(C)C)(C)C)(C)C)C)C

InChI

InChI=1S/C20H33S/c1-10-20(8)15-13-11-12-14-16(15)21(9)19(6,7)17(2,3)18(20,4)5/h11-14H,10H2,1-9H3/q+1