4-dodecylbenzenesulfonate; (2-oxidanylidenechromen-7-yl)-(9-oxidanylidenexanthen-2-yl)iodanium

Systemtic Name: 4-dodecylbenzenesulfonate; (2-oxidanylidenechromen-7-yl)-(9-oxidanylidenexanthen-2-yl)iodanium Openeye Name: 4-dodecylbenzenesulfonate; (2-oxochromen-7-yl)-(9-oxoxanthen-2-yl)iodonium CAS Name: 4-dodecylbenzenesulfonate; (2-oxo-1-benzopyran-7-yl)-(9-oxo-2-xanthenyl)iodonium IUPAC Name: 4-dodecylbenzenesulfonate; (2-oxochromen-7-yl)-(9-oxoxanthen-2-yl)iodanium Traditional Name: (2-ketochromen-7-yl)-(9-ketoxanthen-2-yl)iodonium; 4-laurylbesylate Formula: C40H41IO7S MolecularWeight: 792.71881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)[I+]C4=CC5=C(C=C4)C=CC(=O)O5

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)[I+]C4=CC5=C(C=C4)C=CC(=O)O5

InChI

InChI=1S/C22H12IO4.C18H30O3S/c24-21-10-6-13-5-7-15(12-20(13)27-21)23-14-8-9-19-17(11-14)22(25)16-3-1-2-4-18(16)26-19;1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h1-12H;13-16H,2-12H2,1H3,(H,19,20,21)/q+1;/p-1