benzenesulfonic acid; butane; dodecan-1-ol; oxidanylidenetitanium

Systemtic Name: benzenesulfonic acid; butane; dodecan-1-ol; oxidanylidenetitanium Openeye Name: benzenesulfonic acid; butane; dodecan-1-ol; oxotitanium CAS Name: benzenesulfonic acid; butane; 1-dodecanol; oxotitanium IUPAC Name: benzenesulfonic acid; butane; dodecan-1-ol; oxotitanium Traditional Name: besylic acid; butane; dodecan-1-ol; ketotitanium Formula: C30H59O5STi-3 MolecularWeight: 579.71846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H26O.C6H6O3S.3C4H9.O.Ti/c1-2-3-4-5-6-7-8-9-10-11-12-13;7-10(8,9)6-4-2-1-3-5-6;3*1-3-4-2;;/h13H,2-12H2,1H3;1-5H,(H,7,8,9);3*1,3-4H2,2H3;;/q;;3*-1;;