3-dodecylbenzenesulfonic acid; 2-(methylamino)ethanesulfonic acid; propan-2-ol; titanium

Systemtic Name: 3-dodecylbenzenesulfonic acid; 2-(methylamino)ethanesulfonic acid; propan-2-ol; titanium Openeye Name: 3-dodecylbenzenesulfonic acid; 2-(methylamino)ethanesulfonic acid; propan-2-ol; titanium CAS Name: 3-dodecylbenzenesulfonic acid; 2-(methylamino)ethanesulfonic acid; 2-propanol; titanium IUPAC Name: 3-dodecylbenzenesulfonic acid; 2-(methylamino)ethanesulfonic acid; propan-2-ol; titanium Traditional Name: 3-laurylbesylic acid; 2-(methylamino)ethanesulfonic acid; propan-2-ol; titanium Formula: C42H77NO10S3Ti MolecularWeight: 900.12348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)O.CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)O.CC(C)O.CNCCS(=O)(=O)O.[Ti]

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)O.CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)O.CC(C)O.CNCCS(=O)(=O)O.[Ti]

InChI

InChI=1S/2C18H30O3S.C3H9NO3S.C3H8O.Ti/c2*1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18(16-17)22(19,20)21;1-4-2-3-8(5,6)7;1-3(2)4;/h2*12,14-16H,2-11,13H2,1H3,(H,19,20,21);4H,2-3H2,1H3,(H,5,6,7);3-4H,1-2H3;