4-[1-diethoxyphosphoryl-4-(4-propylphenoxy)cyclohexa-2,4-dien-1-yl]butane-1-sulfonic acid

Systemtic Name: 4-[1-diethoxyphosphoryl-4-(4-propylphenoxy)cyclohexa-2,4-dien-1-yl]butane-1-sulfonic acid Openeye Name: 4-[1-diethoxyphosphoryl-4-(4-propylphenoxy)cyclohexa-2,4-dien-1-yl]butane-1-sulfonic acid CAS Name: 4-[1-diethoxyphosphoryl-4-(4-propylphenoxy)-1-cyclohexa-2,4-dienyl]-1-butanesulfonic acid IUPAC Name: 4-[1-diethoxyphosphoryl-4-(4-propylphenoxy)cyclohexa-2,4-dien-1-yl]butane-1-sulfonic acid Traditional Name: 4-[1-diethoxyphosphoryl-4-(4-propylphenoxy)cyclohexa-2,4-dien-1-yl]butane-1-sulfonic acid Formula: C23H35O7PS MolecularWeight: 486.558561

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OC2=CCC(C=C2)(CCCCS(=O)(=O)O)P(=O)(OCC)OCC

Isomeric SMILES

CCCC1=CC=C(C=C1)OC2=CCC(C=C2)(CCCCS(=O)(=O)O)P(=O)(OCC)OCC

InChI

InChI=1S/C23H35O7PS/c1-4-9-20-10-12-21(13-11-20)30-22-14-17-23(18-15-22,16-7-8-19-32(25,26)27)31(24,28-5-2)29-6-3/h10-15,17H,4-9,16,18-19H2,1-3H3,(H,25,26,27)