(E)-1-diethoxyphosphoryl-4-(6-hexoxynaphthalen-2-yl)but-3-ene-1-sulfonic acid

Systemtic Name: (E)-1-diethoxyphosphoryl-4-(6-hexoxynaphthalen-2-yl)but-3-ene-1-sulfonic acid Openeye Name: (E)-1-diethoxyphosphoryl-4-(6-hexoxy-2-naphthyl)but-3-ene-1-sulfonic acid CAS Name: (E)-1-diethoxyphosphoryl-4-(6-hexoxy-2-naphthalenyl)-3-butene-1-sulfonic acid IUPAC Name: (E)-1-diethoxyphosphoryl-4-(6-hexoxynaphthalen-2-yl)but-3-ene-1-sulfonic acid Traditional Name: (E)-1-diethoxyphosphoryl-4-(6-hexoxy-2-naphthyl)but-3-ene-1-sulfonic acid Formula: C24H35O7PS MolecularWeight: 498.569261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC2=C(C=C1)C=C(C=C2)C=CCC(P(=O)(OCC)OCC)S(=O)(=O)O

Isomeric SMILES

CCCCCCOC1=CC2=C(C=C1)C=C(C=C2)/C=C/CC(P(=O)(OCC)OCC)S(=O)(=O)O

InChI

InChI=1S/C24H35O7PS/c1-4-7-8-9-17-29-23-16-15-21-18-20(13-14-22(21)19-23)11-10-12-24(33(26,27)28)32(25,30-5-2)31-6-3/h10-11,13-16,18-19,24H,4-9,12,17H2,1-3H3,(H,26,27,28)/b11-10+