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5-(3-phenoxyphenyl)-1-phosphono-pentane-1-sulfonic acid

5-(3-phenoxyphenyl)-1-phosphono-pentane-1-sulfonic acid

Systemtic Name:5-(3-phenoxyphenyl)-1-phosphono-pentane-1-sulfonic acid
Openeye Name:5-(3-phenoxyphenyl)-1-phosphono-pentane-1-sulfonic acid
CAS Name:5-(3-phenoxyphenyl)-1-phosphono-1-pentanesulfonic acid
IUPAC Name:5-(3-phenoxyphenyl)-1-phosphonopentane-1-sulfonic acid
Traditional Name:5-(3-phenoxyphenyl)-1-phosphono-pentane-1-sulfonic acid
Formula: C17H21O7PS
MolecularWeight: 400.383201
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)CCCCC(P(=O)(O)O)S(=O)(=O)O


Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)CCCCC(P(=O)(O)O)S(=O)(=O)O


InChI

InChI=1S/C17H21O7PS/c18-25(19,20)17(26(21,22)23)12-5-4-7-14-8-6-11-16(13-14)24-15-9-2-1-3-10-15/h1-3,6,8-11,13,17H,4-5,7,12H2,(H2,18,19,20)(H,21,22,23)


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