2-(diphenylmethyl)benzenesulfonic acid; 3-[[(3-sulfophenyl)methylamino]methyl]benzenesulfonic acid

Systemtic Name: 2-(diphenylmethyl)benzenesulfonic acid; 3-[[(3-sulfophenyl)methylamino]methyl]benzenesulfonic acid Openeye Name: 2-benzhydrylbenzenesulfonic acid; 3-[[(3-sulfophenyl)methylamino]methyl]benzenesulfonic acid CAS Name: 2-(diphenylmethyl)benzenesulfonic acid; 3-[[(3-sulfophenyl)methylamino]methyl]benzenesulfonic acid IUPAC Name: 2-benzhydrylbenzenesulfonic acid; 3-[[(3-sulfophenyl)methylamino]methyl]benzenesulfonic acid Traditional Name: 2-benzhydrylbesylic acid; 3-[[(3-sulfobenzyl)amino]methyl]besylic acid Formula: C33H31NO9S3 MolecularWeight: 681.79554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=CC=C3S(=O)(=O)O.C1=CC(=CC(=C1)S(=O)(=O)O)CNCC2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=CC=C3S(=O)(=O)O.C1=CC(=CC(=C1)S(=O)(=O)O)CNCC2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C19H16O3S.C14H15NO6S2/c20-23(21,22)18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16;16-22(17,18)13-5-1-3-11(7-13)9-15-10-12-4-2-6-14(8-12)23(19,20)21/h1-14,19H,(H,20,21,22);1-8,15H,9-10H2,(H,16,17,18)(H,19,20,21)