6-methyl-1-phosphono-8-(4-propylphenyl)octane-1-sulfonic acid

Systemtic Name: 6-methyl-1-phosphono-8-(4-propylphenyl)octane-1-sulfonic acid Openeye Name: 6-methyl-1-phosphono-8-(4-propylphenyl)octane-1-sulfonic acid CAS Name: 6-methyl-1-phosphono-8-(4-propylphenyl)-1-octanesulfonic acid IUPAC Name: 6-methyl-1-phosphono-8-(4-propylphenyl)octane-1-sulfonic acid Traditional Name: 6-methyl-1-phosphono-8-(4-propylphenyl)octane-1-sulfonic acid Formula: C18H31O6PS MolecularWeight: 406.473901

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)CCC(C)CCCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)CCC(C)CCCCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C18H31O6PS/c1-3-6-16-11-13-17(14-12-16)10-9-15(2)7-4-5-8-18(25(19,20)21)26(22,23)24/h11-15,18H,3-10H2,1-2H3,(H2,19,20,21)(H,22,23,24)