2-dodecylbenzenesulfonic acid; 4-methylpent-4-ene-1-sulfonic acid; propan-2-ol; titanium

Systemtic Name: 2-dodecylbenzenesulfonic acid; 4-methylpent-4-ene-1-sulfonic acid; propan-2-ol; titanium Openeye Name: 2-dodecylbenzenesulfonic acid; 4-methylpent-4-ene-1-sulfonic acid; propan-2-ol; titanium CAS Name: 2-dodecylbenzenesulfonic acid; 4-methyl-4-pentene-1-sulfonic acid; 2-propanol; titanium IUPAC Name: 2-dodecylbenzenesulfonic acid; 4-methylpent-4-ene-1-sulfonic acid; propan-2-ol; titanium Traditional Name: 2-laurylbesylic acid; 4-methylpent-4-ene-1-sulfonic acid; propan-2-ol; titanium Formula: C45H80O10S3Ti MolecularWeight: 925.1727

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CC(C)O.CC(=C)CCCS(=O)(=O)O.[Ti]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CC(C)O.CC(=C)CCCS(=O)(=O)O.[Ti]

InChI

InChI=1S/2C18H30O3S.C6H12O3S.C3H8O.Ti/c2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-6(2)4-3-5-10(7,8)9;1-3(2)4;/h2*12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);1,3-5H2,2H3,(H,7,8,9);3-4H,1-2H3;