(E)-6-methyl-1-phosphono-9-(4-propylphenyl)non-5-ene-1-sulfonic acid

Systemtic Name: (E)-6-methyl-1-phosphono-9-(4-propylphenyl)non-5-ene-1-sulfonic acid Openeye Name: (E)-6-methyl-1-phosphono-9-(4-propylphenyl)non-5-ene-1-sulfonic acid CAS Name: (E)-6-methyl-1-phosphono-9-(4-propylphenyl)-5-nonene-1-sulfonic acid IUPAC Name: (E)-6-methyl-1-phosphono-9-(4-propylphenyl)non-5-ene-1-sulfonic acid Traditional Name: (E)-6-methyl-1-phosphono-9-(4-propylphenyl)non-5-ene-1-sulfonic acid Formula: C19H31O6PS MolecularWeight: 418.484601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC1=CC=C(C=C1)CCC/C(=C/CCCC(P(=O)(O)O)S(=O)(=O)O)/C

InChI

InChI=1S/C19H31O6PS/c1-3-7-17-12-14-18(15-13-17)10-6-9-16(2)8-4-5-11-19(26(20,21)22)27(23,24)25/h8,12-15,19H,3-7,9-11H2,1-2H3,(H2,20,21,22)(H,23,24,25)/b16-8+