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4-(6-hexoxynaphthalen-2-yl)-1-phosphono-butane-1-sulfonic acid

4-(6-hexoxynaphthalen-2-yl)-1-phosphono-butane-1-sulfonic acid

Systemtic Name:4-(6-hexoxynaphthalen-2-yl)-1-phosphono-butane-1-sulfonic acid
Openeye Name:4-(6-hexoxy-2-naphthyl)-1-phosphono-butane-1-sulfonic acid
CAS Name:4-(6-hexoxy-2-naphthalenyl)-1-phosphono-1-butanesulfonic acid
IUPAC Name:4-(6-hexoxynaphthalen-2-yl)-1-phosphonobutane-1-sulfonic acid
Traditional Name:4-(6-hexoxy-2-naphthyl)-1-phosphono-butane-1-sulfonic acid
Formula: C20H29O7PS
MolecularWeight: 444.478821
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC2=C(C=C1)C=C(C=C2)CCCC(P(=O)(O)O)S(=O)(=O)O


Isomeric SMILES

CCCCCCOC1=CC2=C(C=C1)C=C(C=C2)CCCC(P(=O)(O)O)S(=O)(=O)O


InChI

InChI=1S/C20H29O7PS/c1-2-3-4-5-13-27-19-12-11-17-14-16(9-10-18(17)15-19)7-6-8-20(28(21,22)23)29(24,25)26/h9-12,14-15,20H,2-8,13H2,1H3,(H2,21,22,23)(H,24,25,26)


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