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

Systemtic Name: 1-phosphono-7-(4-propylphenoxy)heptane-1-sulfonic acid Openeye Name: 1-phosphono-7-(4-propylphenoxy)heptane-1-sulfonic acid CAS Name: 1-phosphono-7-(4-propylphenoxy)-1-heptanesulfonic acid IUPAC Name: 1-phosphono-7-(4-propylphenoxy)heptane-1-sulfonic acid Traditional Name: 1-phosphono-7-(4-propylphenoxy)heptane-1-sulfonic acid Formula: C16H27O7PS MolecularWeight: 394.420141

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCCCCCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)OCCCCCCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C16H27O7PS/c1-2-7-14-9-11-15(12-10-14)23-13-6-4-3-5-8-16(24(17,18)19)25(20,21)22/h9-12,16H,2-8,13H2,1H3,(H2,17,18,19)(H,20,21,22)