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(E)-4-(4-heptylphenyl)-1-phosphono-but-3-ene-1-sulfonic acid

(E)-4-(4-heptylphenyl)-1-phosphono-but-3-ene-1-sulfonic acid

Systemtic Name:(E)-4-(4-heptylphenyl)-1-phosphono-but-3-ene-1-sulfonic acid
Openeye Name:(E)-4-(4-heptylphenyl)-1-phosphono-but-3-ene-1-sulfonic acid
CAS Name:(E)-4-(4-heptylphenyl)-1-phosphono-3-butene-1-sulfonic acid
IUPAC Name:(E)-4-(4-heptylphenyl)-1-phosphonobut-3-ene-1-sulfonic acid
Traditional Name:(E)-4-(4-heptylphenyl)-1-phosphono-but-3-ene-1-sulfonic acid
Formula: C17H27O6PS
MolecularWeight: 390.431441
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C=CCC(P(=O)(O)O)S(=O)(=O)O


Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)/C=C/CC(P(=O)(O)O)S(=O)(=O)O


InChI

InChI=1S/C17H27O6PS/c1-2-3-4-5-6-8-15-11-13-16(14-12-15)9-7-10-17(24(18,19)20)25(21,22)23/h7,9,11-14,17H,2-6,8,10H2,1H3,(H2,18,19,20)(H,21,22,23)/b9-7+


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