[6-octyl-1-(6-octyl-2-phosphonooxy-naphthalen-1-yl)naphthalen-2-yl] phosphate

Systemtic Name: [6-octyl-1-(6-octyl-2-phosphonooxy-naphthalen-1-yl)naphthalen-2-yl] phosphate Openeye Name: [6-octyl-1-(6-octyl-2-phosphonooxy-1-naphthyl)-2-naphthyl] phosphate CAS Name: [6-octyl-1-(6-octyl-2-phosphonooxy-1-naphthalenyl)-2-naphthalenyl] phosphate IUPAC Name: [6-octyl-1-(6-octyl-2-phosphonooxynaphthalen-1-yl)naphthalen-2-yl] phosphate Traditional Name: [6-octyl-1-(6-octyl-2-phosphonooxy-1-naphthyl)-2-naphthyl] phosphate Formula: C36H46O8P2-2 MolecularWeight: 668.693162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC2=C(C=C1)C(=C(C=C2)OP(=O)(O)O)C3=C(C=CC4=C3C=CC(=C4)CCCCCCCC)OP(=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCC1=CC2=C(C=C1)C(=C(C=C2)OP(=O)(O)O)C3=C(C=CC4=C3C=CC(=C4)CCCCCCCC)OP(=O)([O-])[O-]

InChI

InChI=1S/C36H48O8P2/c1-3-5-7-9-11-13-15-27-17-21-31-29(25-27)19-23-33(43-45(37,38)39)35(31)36-32-22-18-28(16-14-12-10-8-6-4-2)26-30(32)20-24-34(36)44-46(40,41)42/h17-26H,3-16H2,1-2H3,(H2,37,38,39)(H2,40,41,42)/p-2