4-dodecylbenzenesulfonate; (2-oxidanylidenechromen-7-yl)-diphenyl-sulfanium

Systemtic Name: 4-dodecylbenzenesulfonate; (2-oxidanylidenechromen-7-yl)-diphenyl-sulfanium Openeye Name: 4-dodecylbenzenesulfonate; (2-oxochromen-7-yl)-diphenyl-sulfonium CAS Name: 4-dodecylbenzenesulfonate; (2-oxo-1-benzopyran-7-yl)-diphenylsulfonium IUPAC Name: 4-dodecylbenzenesulfonate; (2-oxochromen-7-yl)-diphenylsulfanium Traditional Name: (2-ketochromen-7-yl)-diphenyl-sulfonium; 4-laurylbesylate Formula: C39H44O5S2 MolecularWeight: 656.89366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC4=C(C=C3)C=CC(=O)O4

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC4=C(C=C3)C=CC(=O)O4

InChI

InChI=1S/C21H15O2S.C18H30O3S/c22-21-14-12-16-11-13-19(15-20(16)23-21)24(17-7-3-1-4-8-17)18-9-5-2-6-10-18;1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h1-15H;13-16H,2-12H2,1H3,(H,19,20,21)/q+1;/p-1