disodium [2-methyl-4-phosphonooxy-3-(3,7,11,15-tetramethylhexadecyl)naphthalen-1-yl] phosphate

Systemtic Name: disodium [2-methyl-4-phosphonooxy-3-(3,7,11,15-tetramethylhexadecyl)naphthalen-1-yl] phosphate Openeye Name: disodium [2-methyl-4-phosphonooxy-3-(3,7,11,15-tetramethylhexadecyl)-1-naphthyl] phosphate CAS Name: disodium [2-methyl-4-phosphonooxy-3-(3,7,11,15-tetramethylhexadecyl)-1-naphthalenyl] phosphate IUPAC Name: disodium [2-methyl-4-phosphonooxy-3-(3,7,11,15-tetramethylhexadecyl)naphthalen-1-yl] phosphate Traditional Name: disodium [2-methyl-4-phosphonooxy-3-(3,7,11,15-tetramethylhexadecyl)-1-naphthyl] phosphate Formula: C31H50Na2O8P2 MolecularWeight: 658.650962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C(=C1CCC(C)CCCC(C)CCCC(C)CCCC(C)C)OP(=O)(O)O)OP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C(C2=CC=CC=C2C(=C1CCC(C)CCCC(C)CCCC(C)CCCC(C)C)OP(=O)(O)O)OP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C31H52O8P2.2Na/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(38-40(32,33)34)28-18-7-8-19-29(28)31(27)39-41(35,36)37;;/h7-8,18-19,22-25H,9-17,20-21H2,1-6H3,(H2,32,33,34)(H2,35,36,37);;/q;2*+1/p-2