phosphono 4-[4-(4-methylphenyl)phenyl]butane-1-sulfonate

Systemtic Name: phosphono 4-[4-(4-methylphenyl)phenyl]butane-1-sulfonate Openeye Name: phosphono 4-[4-(p-tolyl)phenyl]butane-1-sulfonate CAS Name: 4-[4-(4-methylphenyl)phenyl]-1-butanesulfonic acid IUPAC Name: phosphono 4-[4-(4-methylphenyl)phenyl]butane-1-sulfonate Traditional Name: 4-[4-(p-tolyl)phenyl]butane-1-sulfonic acid phosphono ester Formula: C17H21O6PS MolecularWeight: 384.383801

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)CCCCS(=O)(=O)OP(=O)(O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)CCCCS(=O)(=O)OP(=O)(O)O

InChI

InChI=1S/C17H21O6PS/c1-14-5-9-16(10-6-14)17-11-7-15(8-12-17)4-2-3-13-25(21,22)23-24(18,19)20/h5-12H,2-4,13H2,1H3,(H2,18,19,20)