4-(3-phenoxyphenyl)-1-phosphono-pentane-1-sulfonic acid

Systemtic Name: 4-(3-phenoxyphenyl)-1-phosphono-pentane-1-sulfonic acid Openeye Name: 4-(3-phenoxyphenyl)-1-phosphono-pentane-1-sulfonic acid CAS Name: 4-(3-phenoxyphenyl)-1-phosphono-1-pentanesulfonic acid IUPAC Name: 4-(3-phenoxyphenyl)-1-phosphonopentane-1-sulfonic acid Traditional Name: 4-(3-phenoxyphenyl)-1-phosphono-pentane-1-sulfonic acid Formula: C17H21O7PS MolecularWeight: 400.383201

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(P(=O)(O)O)S(=O)(=O)O)C1=CC(=CC=C1)OC2=CC=CC=C2

Isomeric SMILES

CC(CCC(P(=O)(O)O)S(=O)(=O)O)C1=CC(=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C17H21O7PS/c1-13(10-11-17(25(18,19)20)26(21,22)23)14-6-5-9-16(12-14)24-15-7-3-2-4-8-15/h2-9,12-13,17H,10-11H2,1H3,(H2,18,19,20)(H,21,22,23)