4-[4-[4-(2-methylprop-1-enyl)phenyl]phenyl]-1-phosphono-butane-1-sulfonic acid

Systemtic Name: 4-[4-[4-(2-methylprop-1-enyl)phenyl]phenyl]-1-phosphono-butane-1-sulfonic acid Openeye Name: 4-[4-[4-(2-methylprop-1-enyl)phenyl]phenyl]-1-phosphono-butane-1-sulfonic acid CAS Name: 4-[4-[4-(2-methylprop-1-enyl)phenyl]phenyl]-1-phosphono-1-butanesulfonic acid IUPAC Name: 4-[4-[4-(2-methylprop-1-enyl)phenyl]phenyl]-1-phosphonobutane-1-sulfonic acid Traditional Name: 4-[4-[4-(2-methylprop-1-enyl)phenyl]phenyl]-1-phosphono-butane-1-sulfonic acid Formula: C20H25O6PS MolecularWeight: 424.447661

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=C(C=C1)C2=CC=C(C=C2)CCCC(P(=O)(O)O)S(=O)(=O)O)C

Isomeric SMILES

CC(=CC1=CC=C(C=C1)C2=CC=C(C=C2)CCCC(P(=O)(O)O)S(=O)(=O)O)C

InChI

InChI=1S/C20H25O6PS/c1-15(2)14-17-8-12-19(13-9-17)18-10-6-16(7-11-18)4-3-5-20(27(21,22)23)28(24,25)26/h6-14,20H,3-5H2,1-2H3,(H2,21,22,23)(H,24,25,26)