tris[4b,8-dimethyl-8-[(1-phenylcyclohexyl)methylcarbamoyl]-5,6,7,8a,9,10-hexahydrophenanthren-3-yl] phosphate

Systemtic Name: tris[4b,8-dimethyl-8-[(1-phenylcyclohexyl)methylcarbamoyl]-5,6,7,8a,9,10-hexahydrophenanthren-3-yl] phosphate Openeye Name: tris[4b,8-dimethyl-8-[(1-phenylcyclohexyl)methylcarbamoyl]-5,6,7,8a,9,10-hexahydrophenanthren-3-yl] phosphate CAS Name: phosphoric acid tris[4b,8-dimethyl-8-[oxo-[(1-phenylcyclohexyl)methylamino]methyl]-5,6,7,8a,9,10-hexahydrophenanthren-3-yl] ester IUPAC Name: tris[4b,8-dimethyl-8-[(1-phenylcyclohexyl)methylcarbamoyl]-5,6,7,8a,9,10-hexahydrophenanthren-3-yl] phosphate Traditional Name: phosphoric acid tris[4b,8-dimethyl-8-[(1-phenylcyclohexyl)methylcarbamoyl]-5,6,7,8a,9,10-hexahydrophenanthren-3-yl] ester Formula: C90H114N3O7P MolecularWeight: 1380.857821

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1CCC3=C2C=C(C=C3)OP(=O)(OC4=CC5=C(CCC6C5(CCCC6(C)C(=O)NCC7(CCCCC7)C8=CC=CC=C8)C)C=C4)OC9=CC1=C(CCC2C1(CCCC2(C)C(=O)NCC1(CCCCC1)C1=CC=CC=C1)C)C=C9)(C)C(=O)NCC1(CCCCC1)C1=CC=CC=C1

Isomeric SMILES

CC12CCCC(C1CCC3=C2C=C(C=C3)OP(=O)(OC4=CC5=C(CCC6C5(CCCC6(C)C(=O)NCC7(CCCCC7)C8=CC=CC=C8)C)C=C4)OC9=CC1=C(CCC2C1(CCCC2(C)C(=O)NCC1(CCCCC1)C1=CC=CC=C1)C)C=C9)(C)C(=O)NCC1(CCCCC1)C1=CC=CC=C1

InChI

InChI=1S/C90H114N3O7P/c1-82-46-25-49-85(4,79(94)91-61-88(52-19-10-20-53-88)67-28-13-7-14-29-67)76(82)43-37-64-34-40-70(58-73(64)82)98-101(97,99-71-41-35-65-38-44-77-83(2,74(65)59-71)47-26-50-86(77,5)80(95)92-62-89(54-21-11-22-55-89)68-30-15-8-16-31-68)100-72-42-36-66-39-45-78-84(3,75(66)60-72)48-27-51-87(78,6)81(96)93-63-90(56-23-12-24-57-90)69-32-17-9-18-33-69/h7-9,13-18,28-36,40-42,58-60,76-78H,10-12,19-27,37-39,43-57,61-63H2,1-6H3,(H,91,94)(H,92,95)(H,93,96)