biphenylen-2-yliodanium; 2-dodecylbenzenesulfonate

Systemtic Name: biphenylen-2-yliodanium; 2-dodecylbenzenesulfonate Openeye Name: biphenylen-2-yliodonium; 2-dodecylbenzenesulfonate CAS Name: 2-biphenylenyliodonium; 2-dodecylbenzenesulfonate IUPAC Name: biphenylen-2-yliodanium; 2-dodecylbenzenesulfonate Traditional Name: biphenylen-2-yliodonium; 2-laurylbesylate Formula: C30H37IO3S MolecularWeight: 604.58245

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C1=CC=C2C(=C1)C3=C2C=C(C=C3)[IH+]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C1=CC=C2C(=C1)C3=C2C=C(C=C3)[IH+]

InChI

InChI=1S/C18H30O3S.C12H8I/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;13-8-5-6-11-9-3-1-2-4-10(9)12(11)7-8/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);1-7,13H/q;+1/p-1