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

Systemtic Name: 4-[4-(4-ethylphenyl)phenyl]-1-phosphono-butane-1-sulfonic acid Openeye Name: 4-[4-(4-ethylphenyl)phenyl]-1-phosphono-butane-1-sulfonic acid CAS Name: 4-[4-(4-ethylphenyl)phenyl]-1-phosphono-1-butanesulfonic acid IUPAC Name: 4-[4-(4-ethylphenyl)phenyl]-1-phosphonobutane-1-sulfonic acid Traditional Name: 4-[4-(4-ethylphenyl)phenyl]-1-phosphono-butane-1-sulfonic acid Formula: C18H23O6PS MolecularWeight: 398.410381

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC=C(C=C2)CCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC=C(C=C2)CCCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C18H23O6PS/c1-2-14-6-10-16(11-7-14)17-12-8-15(9-13-17)4-3-5-18(25(19,20)21)26(22,23)24/h6-13,18H,2-5H2,1H3,(H2,19,20,21)(H,22,23,24)