4-(4-heptylphenyl)-1-phosphono-butane-1-sulfonic acid

Systemtic Name: 4-(4-heptylphenyl)-1-phosphono-butane-1-sulfonic acid Openeye Name: 4-(4-heptylphenyl)-1-phosphono-butane-1-sulfonic acid CAS Name: 4-(4-heptylphenyl)-1-phosphono-1-butanesulfonic acid IUPAC Name: 4-(4-heptylphenyl)-1-phosphonobutane-1-sulfonic acid Traditional Name: 4-(4-heptylphenyl)-1-phosphono-butane-1-sulfonic acid Formula: C17H29O6PS MolecularWeight: 392.447321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29O6PS/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/h11-14,17H,2-10H2,1H3,(H2,18,19,20)(H,21,22,23)