[4-(2-methylheptan-2-yl)-2-phosphonooxy-phenyl] dihydrogen phosphate

Systemtic Name: [4-(2-methylheptan-2-yl)-2-phosphonooxy-phenyl] dihydrogen phosphate Openeye Name: [4-(1,1-dimethylhexyl)-2-phosphonooxy-phenyl] dihydrogen phosphate CAS Name: [4-(2-methylheptan-2-yl)-2-phosphonooxyphenyl] dihydrogen phosphate IUPAC Name: [4-(2-methylheptan-2-yl)-2-phosphonooxyphenyl] dihydrogen phosphate Traditional Name: [4-(1,1-dimethylhexyl)-2-phosphonooxy-phenyl] dihydrogen phosphate Formula: C14H24O8P2 MolecularWeight: 382.283082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=C(C=C1)OP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

CCCCCC(C)(C)C1=CC(=C(C=C1)OP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C14H24O8P2/c1-4-5-6-9-14(2,3)11-7-8-12(21-23(15,16)17)13(10-11)22-24(18,19)20/h7-8,10H,4-6,9H2,1-3H3,(H2,15,16,17)(H2,18,19,20)