2-(4-aminophenyl)sulfonyl-2-(phenylsulfonyloxy)tetradecanoate; titanium; tetrahydroxide

Systemtic Name: 2-(4-aminophenyl)sulfonyl-2-(phenylsulfonyloxy)tetradecanoate; titanium; tetrahydroxide Openeye Name: 2-(4-aminophenyl)sulfonyl-2-(benzenesulfonyloxy)tetradecanoate; titanium; tetrahydroxide CAS Name: 2-(4-aminophenyl)sulfonyl-2-(benzenesulfonyloxy)tetradecanoate; titanium; tetrahydroxide IUPAC Name: 2-(4-aminophenyl)sulfonyl-2-(benzenesulfonyloxy)tetradecanoate; titanium; tetrahydroxide Traditional Name: 2-besyloxy-2-sulfanilyl-myristate; titanium; tetrahydroxide Formula: C26H40NO11S2Ti-5 MolecularWeight: 654.5929

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)[O-])(OS(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)N.[OH-].[OH-].[OH-].[OH-].[Ti]

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)[O-])(OS(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)N.[OH-].[OH-].[OH-].[OH-].[Ti]

InChI

InChI=1S/C26H37NO7S2.4H2O.Ti/c1-2-3-4-5-6-7-8-9-10-14-21-26(25(28)29,34-36(32,33)24-15-12-11-13-16-24)35(30,31)23-19-17-22(27)18-20-23;;;;;/h11-13,15-20H,2-10,14,21,27H2,1H3,(H,28,29);4*1H2;/p-5