[3-[(4-tert-butylcyclohexyl)methyl]-1,4-bis(oxidanylidene)naphthalen-2-yl] dihydrogen phosphate

Systemtic Name: [3-[(4-tert-butylcyclohexyl)methyl]-1,4-bis(oxidanylidene)naphthalen-2-yl] dihydrogen phosphate Openeye Name: [3-[(4-tert-butylcyclohexyl)methyl]-1,4-dioxo-2-naphthyl] dihydrogen phosphate CAS Name: [3-[(4-tert-butylcyclohexyl)methyl]-1,4-dioxo-2-naphthalenyl] dihydrogen phosphate IUPAC Name: [3-[(4-tert-butylcyclohexyl)methyl]-1,4-dioxonaphthalen-2-yl] dihydrogen phosphate Traditional Name: [3-[(4-tert-butylcyclohexyl)methyl]-1,4-diketo-2-naphthyl] dihydrogen phosphate Formula: C21H27O6P MolecularWeight: 406.409241

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)CC2=C(C(=O)C3=CC=CC=C3C2=O)OP(=O)(O)O

Isomeric SMILES

CC(C)(C)C1CCC(CC1)CC2=C(C(=O)C3=CC=CC=C3C2=O)OP(=O)(O)O

InChI

InChI=1S/C21H27O6P/c1-21(2,3)14-10-8-13(9-11-14)12-17-18(22)15-6-4-5-7-16(15)19(23)20(17)27-28(24,25)26/h4-7,13-14H,8-12H2,1-3H3,(H2,24,25,26)