sodium [4-[(E)-4-(4-acetyloxyphenyl)hex-3-en-3-yl]phenyl] phenyl phosphate

Systemtic Name: sodium [4-[(E)-4-(4-acetyloxyphenyl)hex-3-en-3-yl]phenyl] phenyl phosphate Openeye Name: sodium [4-[(E)-2-(4-acetoxyphenyl)-1-ethyl-but-1-enyl]phenyl] phenyl phosphate CAS Name: sodium [4-[(E)-4-(4-acetyloxyphenyl)hex-3-en-3-yl]phenyl] phenyl phosphate IUPAC Name: sodium [4-[(E)-4-(4-acetyloxyphenyl)hex-3-en-3-yl]phenyl] phenyl phosphate Traditional Name: sodium [4-[(E)-2-(4-acetoxyphenyl)-1-ethyl-but-1-enyl]phenyl] phenyl phosphate Formula: C26H26NaO6P MolecularWeight: 488.444571

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(CC)C1=CC=C(C=C1)OP(=O)([O-])OC2=CC=CC=C2)C3=CC=C(C=C3)OC(=O)C.[Na+]

Isomeric SMILES

CC/C(=C(/CC)\C1=CC=C(C=C1)OP(=O)([O-])OC2=CC=CC=C2)/C3=CC=C(C=C3)OC(=O)C.[Na+]

InChI

InChI=1S/C26H27O6P.Na/c1-4-25(20-11-15-22(16-12-20)30-19(3)27)26(5-2)21-13-17-24(18-14-21)32-33(28,29)31-23-9-7-6-8-10-23;/h6-18H,4-5H2,1-3H3,(H,28,29);/q;+1/p-1/b26-25+;