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4-(3-naphthalen-1-yloxyphenyl)-1-phosphono-butane-1-sulfonic acid

4-(3-naphthalen-1-yloxyphenyl)-1-phosphono-butane-1-sulfonic acid

Systemtic Name:4-(3-naphthalen-1-yloxyphenyl)-1-phosphono-butane-1-sulfonic acid
Openeye Name:4-[3-(1-naphthyloxy)phenyl]-1-phosphono-butane-1-sulfonic acid
CAS Name:4-[3-(1-naphthalenyloxy)phenyl]-1-phosphono-1-butanesulfonic acid
IUPAC Name:4-(3-naphthalen-1-yloxyphenyl)-1-phosphonobutane-1-sulfonic acid
Traditional Name:4-[3-(1-naphthoxy)phenyl]-1-phosphono-butane-1-sulfonic acid
Formula: C20H21O7PS
MolecularWeight: 436.415301
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2OC3=CC=CC(=C3)CCCC(P(=O)(O)O)S(=O)(=O)O


Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2OC3=CC=CC(=C3)CCCC(P(=O)(O)O)S(=O)(=O)O


InChI

InChI=1S/C20H21O7PS/c21-28(22,23)20(29(24,25)26)13-4-7-15-6-3-10-17(14-15)27-19-12-5-9-16-8-1-2-11-18(16)19/h1-3,5-6,8-12,14,20H,4,7,13H2,(H2,21,22,23)(H,24,25,26)


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