sodium [2-methyl-4-phosphonooxy-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalen-1-yl] dihydrogen phosphate

Systemtic Name: sodium [2-methyl-4-phosphonooxy-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalen-1-yl] dihydrogen phosphate Openeye Name: sodium [2-methyl-4-phosphonooxy-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]-1-naphthyl] dihydrogen phosphate CAS Name: sodium [2-methyl-4-phosphonooxy-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]-1-naphthalenyl] dihydrogen phosphate IUPAC Name: sodium [2-methyl-4-phosphonooxy-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalen-1-yl] dihydrogen phosphate Traditional Name: sodium [2-methyl-4-phosphonooxy-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]-1-naphthyl] dihydrogen phosphate Formula: C31H50NaO8P2+ MolecularWeight: 635.661192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C(=C1CC=C(C)CCCC(C)CCCC(C)CCCC(C)C)OP(=O)(O)O)OP(=O)(O)O.[Na+]

Isomeric SMILES

CC1=C(C2=CC=CC=C2C(=C1C/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)OP(=O)(O)O)OP(=O)(O)O.[Na+]

InChI

InChI=1S/C31H50O8P2.Na/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;/h7-8,18-20,22-24H,9-17,21H2,1-6H3,(H2,32,33,34)(H2,35,36,37);/q;+1/b25-20+;