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

Systemtic Name: 6-methyl-8-(4-phenylphenyl)-1-phosphono-octane-1-sulfonic acid Openeye Name: 6-methyl-8-(4-phenylphenyl)-1-phosphono-octane-1-sulfonic acid CAS Name: 6-methyl-8-(4-phenylphenyl)-1-phosphono-1-octanesulfonic acid IUPAC Name: 6-methyl-8-(4-phenylphenyl)-1-phosphonooctane-1-sulfonic acid Traditional Name: 6-methyl-8-(4-phenylphenyl)-1-phosphono-octane-1-sulfonic acid Formula: C21H29O6PS MolecularWeight: 440.490121

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCC(P(=O)(O)O)S(=O)(=O)O)CCC1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CC(CCCCC(P(=O)(O)O)S(=O)(=O)O)CCC1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H29O6PS/c1-17(7-5-6-10-21(28(22,23)24)29(25,26)27)11-12-18-13-15-20(16-14-18)19-8-3-2-4-9-19/h2-4,8-9,13-17,21H,5-7,10-12H2,1H3,(H2,22,23,24)(H,25,26,27)