4-azanyl-2-propan-2-yl-benzenesulfonic acid; 2,3-di(dodecan-4-yl)benzenesulfonic acid; oxidanylidenetitanium

Systemtic Name: 4-azanyl-2-propan-2-yl-benzenesulfonic acid; 2,3-di(dodecan-4-yl)benzenesulfonic acid; oxidanylidenetitanium Openeye Name: 4-amino-2-isopropyl-benzenesulfonic acid; 2,3-bis(1-propylnonyl)benzenesulfonic acid; oxotitanium CAS Name: 4-amino-2-propan-2-ylbenzenesulfonic acid; 2,3-di(dodecan-4-yl)benzenesulfonic acid; oxotitanium IUPAC Name: 4-amino-2-propan-2-ylbenzenesulfonic acid; 2,3-di(dodecan-4-yl)benzenesulfonic acid; oxotitanium Traditional Name: 4-amino-2-isopropyl-besylic acid; 2,3-bis(1-propylnonyl)besylic acid; ketotitanium Formula: C39H67NO7S2Ti MolecularWeight: 773.94878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCC)C1=C(C(=CC=C1)S(=O)(=O)O)C(CCC)CCCCCCCC.CC(C)C1=C(C=CC(=C1)N)S(=O)(=O)O.O=[Ti]

Isomeric SMILES

CCCCCCCCC(CCC)C1=C(C(=CC=C1)S(=O)(=O)O)C(CCC)CCCCCCCC.CC(C)C1=C(C=CC(=C1)N)S(=O)(=O)O.O=[Ti]

InChI

InChI=1S/C30H54O3S.C9H13NO3S.O.Ti/c1-5-9-11-13-15-17-22-26(20-7-3)28-24-19-25-29(34(31,32)33)30(28)27(21-8-4)23-18-16-14-12-10-6-2;1-6(2)8-5-7(10)3-4-9(8)14(11,12)13;;/h19,24-27H,5-18,20-23H2,1-4H3,(H,31,32,33);3-6H,10H2,1-2H3,(H,11,12,13);;