4-azanylbenzenesulfonic acid; propan-2-ol; titanium

Systemtic Name: 4-azanylbenzenesulfonic acid; propan-2-ol; titanium Openeye Name: 4-aminobenzenesulfonic acid; propan-2-ol; titanium CAS Name: 4-aminobenzenesulfonic acid; 2-propanol; titanium IUPAC Name: 4-aminobenzenesulfonic acid; propan-2-ol; titanium Traditional Name: 4-aminobesylic acid; propan-2-ol; titanium Formula: C21H29N3O10S3Ti MolecularWeight: 627.53106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)O.C1=CC(=CC=C1N)S(=O)(=O)O.C1=CC(=CC=C1N)S(=O)(=O)O.C1=CC(=CC=C1N)S(=O)(=O)O.[Ti]

Isomeric SMILES

CC(C)O.C1=CC(=CC=C1N)S(=O)(=O)O.C1=CC(=CC=C1N)S(=O)(=O)O.C1=CC(=CC=C1N)S(=O)(=O)O.[Ti]

InChI

InChI=1S/3C6H7NO3S.C3H8O.Ti/c3*7-5-1-3-6(4-2-5)11(8,9)10;1-3(2)4;/h3*1-4H,7H2,(H,8,9,10);3-4H,1-2H3;