sodium [2,3-bis[1-(4-methylphenyl)ethyl]phenyl] phosphate

Systemtic Name: sodium [2,3-bis[1-(4-methylphenyl)ethyl]phenyl] phosphate Openeye Name: sodium [2,3-bis[1-(p-tolyl)ethyl]phenyl] phosphate CAS Name: sodium [2,3-bis[1-(4-methylphenyl)ethyl]phenyl] phosphate IUPAC Name: sodium [2,3-bis[1-(4-methylphenyl)ethyl]phenyl] phosphate Traditional Name: sodium [2,3-bis[1-(p-tolyl)ethyl]phenyl] phosphate Formula: C24H25NaO4P- MolecularWeight: 431.416431

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)C2=C(C(=CC=C2)OP(=O)([O-])[O-])C(C)C3=CC=C(C=C3)C.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)C(C)C2=C(C(=CC=C2)OP(=O)([O-])[O-])C(C)C3=CC=C(C=C3)C.[Na+]

InChI

InChI=1S/C24H27O4P.Na/c1-16-8-12-20(13-9-16)18(3)22-6-5-7-23(28-29(25,26)27)24(22)19(4)21-14-10-17(2)11-15-21;/h5-15,18-19H,1-4H3,(H2,25,26,27);/q;+1/p-2