4-[4-(phenylmethyl)phenyl]-1-phosphono-butane-1-sulfonic acid

Systemtic Name: 4-[4-(phenylmethyl)phenyl]-1-phosphono-butane-1-sulfonic acid Openeye Name: 4-(4-benzylphenyl)-1-phosphono-butane-1-sulfonic acid CAS Name: 4-[4-(phenylmethyl)phenyl]-1-phosphono-1-butanesulfonic acid IUPAC Name: 4-(4-benzylphenyl)-1-phosphonobutane-1-sulfonic acid Traditional Name: 4-(4-benzylphenyl)-1-phosphono-butane-1-sulfonic acid Formula: C17H21O6PS MolecularWeight: 384.383801

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=C(C=C2)CCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)CCCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C17H21O6PS/c18-24(19,20)17(25(21,22)23)8-4-7-14-9-11-16(12-10-14)13-15-5-2-1-3-6-15/h1-3,5-6,9-12,17H,4,7-8,13H2,(H2,18,19,20)(H,21,22,23)