4-methylbenzenesulfonic acid; triphenylbismuthane; hydrate

Systemtic Name: 4-methylbenzenesulfonic acid; triphenylbismuthane; hydrate Openeye Name: 4-methylbenzenesulfonic acid; triphenylbismuthane; hydrate CAS Name: 4-methylbenzenesulfonic acid; triphenylbismuthine; hydrate IUPAC Name: 4-methylbenzenesulfonic acid; triphenylbismuthane; hydrate Traditional Name: tosylic acid; triphenylbismuthine; hydrate Formula: C50H48Bi2O7S2 MolecularWeight: 1243.00268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)[Bi](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[Bi](C2=CC=CC=C2)C3=CC=CC=C3.O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)[Bi](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[Bi](C2=CC=CC=C2)C3=CC=CC=C3.O

InChI

InChI=1S/2C7H8O3S.6C6H5.2Bi.H2O/c2*1-6-2-4-7(5-3-6)11(8,9)10;6*1-2-4-6-5-3-1;;;/h2*2-5H,1H3,(H,8,9,10);6*1-5H;;;1H2