2-dodecyl-1H-isothiochromen-2-ium-4-one

Systemtic Name: 2-dodecyl-1H-isothiochromen-2-ium-4-one Openeye Name: 2-dodecylisothiochroman-2-ium-4-one CAS Name: 2-dodecyl-1H-2-benzothiopyran-2-ium-4-one IUPAC Name: 2-dodecyl-1H-isothiochromen-2-ium-4-one Traditional Name: 2-laurylisothiochroman-2-ium-4-one Formula: C21H33OS+ MolecularWeight: 333.55112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[S+]1CC2=CC=CC=C2C(=O)C1

Isomeric SMILES

CCCCCCCCCCCC[S+]1CC2=CC=CC=C2C(=O)C1

InChI

InChI=1S/C21H33OS/c1-2-3-4-5-6-7-8-9-10-13-16-23-17-19-14-11-12-15-20(19)21(22)18-23/h11-12,14-15H,2-10,13,16-18H2,1H3/q+1