sodium [4-[3-(4-butoxyphenyl)-3-oxidanylidene-propyl]phenyl] phenyl phosphate

Systemtic Name: sodium [4-[3-(4-butoxyphenyl)-3-oxidanylidene-propyl]phenyl] phenyl phosphate Openeye Name: sodium [4-[3-(4-butoxyphenyl)-3-oxo-propyl]phenyl] phenyl phosphate CAS Name: sodium [4-[3-(4-butoxyphenyl)-3-oxopropyl]phenyl] phenyl phosphate IUPAC Name: sodium [4-[3-(4-butoxyphenyl)-3-oxopropyl]phenyl] phenyl phosphate Traditional Name: sodium [4-[3-(4-butoxyphenyl)-3-keto-propyl]phenyl] phenyl phosphate Formula: C25H26NaO6P MolecularWeight: 476.433871

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)CCC2=CC=C(C=C2)OP(=O)([O-])OC3=CC=CC=C3.[Na+]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)CCC2=CC=C(C=C2)OP(=O)([O-])OC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C25H27O6P.Na/c1-2-3-19-29-22-16-12-21(13-17-22)25(26)18-11-20-9-14-24(15-10-20)31-32(27,28)30-23-7-5-4-6-8-23;/h4-10,12-17H,2-3,11,18-19H2,1H3,(H,27,28);/q;+1/p-1