4-[3-(3-ethylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid

Systemtic Name: 4-[3-(3-ethylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid Openeye Name: 4-[3-(3-ethylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid CAS Name: 4-[3-(3-ethylphenoxy)phenyl]-1-phosphono-1-butanesulfonic acid IUPAC Name: 4-[3-(3-ethylphenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid Traditional Name: 4-[3-(3-ethylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid Formula: C18H23O7PS MolecularWeight: 414.409781

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OC2=CC=CC(=C2)CCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

CCC1=CC(=CC=C1)OC2=CC=CC(=C2)CCCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C18H23O7PS/c1-2-14-6-3-9-16(12-14)25-17-10-4-7-15(13-17)8-5-11-18(26(19,20)21)27(22,23)24/h3-4,6-7,9-10,12-13,18H,2,5,8,11H2,1H3,(H2,19,20,21)(H,22,23,24)