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

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

Systemtic Name:4-[4-(phenylsulfonyl)phenyl]-1-phosphono-butane-1-sulfonic acid
Openeye Name:4-[4-(benzenesulfonyl)phenyl]-1-phosphono-butane-1-sulfonic acid
CAS Name:4-[4-(benzenesulfonyl)phenyl]-1-phosphono-1-butanesulfonic acid
IUPAC Name:4-[4-(benzenesulfonyl)phenyl]-1-phosphonobutane-1-sulfonic acid
Traditional Name:4-(4-besylphenyl)-1-phosphono-butane-1-sulfonic acid
Formula: C16H19O8PS2
MolecularWeight: 434.421021
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C16H19O8PS2/c17-25(18,19)16(27(22,23)24)8-4-5-13-9-11-15(12-10-13)26(20,21)14-6-2-1-3-7-14/h1-3,6-7,9-12,16H,4-5,8H2,(H2,17,18,19)(H,22,23,24)


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