benzenesulfonic acid; dodecane; oxidanylidenetitanium; propan-2-ol

Systemtic Name: benzenesulfonic acid; dodecane; oxidanylidenetitanium; propan-2-ol Openeye Name: benzenesulfonic acid; dodecane; oxotitanium; propan-2-ol CAS Name: benzenesulfonic acid; dodecane; oxotitanium; 2-propanol IUPAC Name: benzenesulfonic acid; dodecane; oxotitanium; propan-2-ol Traditional Name: besylic acid; dodecane; ketotitanium; propan-2-ol Formula: C45H89O5STi-3 MolecularWeight: 790.11716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC[CH2-].CCCCCCCCCCC[CH2-].CCCCCCCCCCC[CH2-].CC(C)O.C1=CC=C(C=C1)S(=O)(=O)O.O=[Ti]

Isomeric SMILES

CCCCCCCCCCC[CH2-].CCCCCCCCCCC[CH2-].CCCCCCCCCCC[CH2-].CC(C)O.C1=CC=C(C=C1)S(=O)(=O)O.O=[Ti]

InChI

InChI=1S/3C12H25.C6H6O3S.C3H8O.O.Ti/c3*1-3-5-7-9-11-12-10-8-6-4-2;7-10(8,9)6-4-2-1-3-5-6;1-3(2)4;;/h3*1,3-12H2,2H3;1-5H,(H,7,8,9);3-4H,1-2H3;;/q3*-1;;;;