7-(4-pentylphenoxy)-1-phosphono-heptane-1-sulfonic acid

Systemtic Name: 7-(4-pentylphenoxy)-1-phosphono-heptane-1-sulfonic acid Openeye Name: 7-(4-pentylphenoxy)-1-phosphono-heptane-1-sulfonic acid CAS Name: 7-(4-pentylphenoxy)-1-phosphono-1-heptanesulfonic acid IUPAC Name: 7-(4-pentylphenoxy)-1-phosphonoheptane-1-sulfonic acid Traditional Name: 7-(4-amylphenoxy)-1-phosphono-heptane-1-sulfonic acid Formula: C18H31O7PS MolecularWeight: 422.473301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OCCCCCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OCCCCCCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C18H31O7PS/c1-2-3-6-9-16-11-13-17(14-12-16)25-15-8-5-4-7-10-18(26(19,20)21)27(22,23)24/h11-14,18H,2-10,15H2,1H3,(H2,19,20,21)(H,22,23,24)