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diphenyliodanium; 1-phenyltridecane-1-sulfonic acid

diphenyliodanium; 1-phenyltridecane-1-sulfonic acid

Systemtic Name:diphenyliodanium; 1-phenyltridecane-1-sulfonic acid
Openeye Name:diphenyliodonium; 1-phenyltridecane-1-sulfonic acid
CAS Name:diphenyliodonium; 1-phenyl-1-tridecanesulfonic acid
IUPAC Name:diphenyliodanium; 1-phenyltridecane-1-sulfonic acid
Traditional Name:diphenyliodonium; 1-phenyltridecane-1-sulfonic acid
Formula: C31H42IO3S+
MolecularWeight: 621.63285
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C1=CC=CC=C1)S(=O)(=O)O.C1=CC=C(C=C1)[I+]C2=CC=CC=C2


Isomeric SMILES

CCCCCCCCCCCCC(C1=CC=CC=C1)S(=O)(=O)O.C1=CC=C(C=C1)[I+]C2=CC=CC=C2


InChI

InChI=1S/C19H32O3S.C12H10I/c1-2-3-4-5-6-7-8-9-10-14-17-19(23(20,21)22)18-15-12-11-13-16-18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13,15-16,19H,2-10,14,17H2,1H3,(H,20,21,22);1-10H/q;+1


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