A1INZ

2-cyclohexyl-18,19-dimethoxy-13-methyl-11,17-dioxa-4-aza-1lambda5,18lambda5-diphospha-1,15-distannatetracyclo[13.4.0.04,9.016,20]nonadecane-3,10-quinone

Created:2024-09-11
Last modified:  2025-01-15

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Chemical Details

Formal Charge0
Atom Count85
Chiral Atom Count3
Bond Count89
Aromatic Bond Count11
2D diagram of A1INZ
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Chemical Component Summary

Name2-cyclohexyl-18,19-dimethoxy-13-methyl-11,17-dioxa-4-aza-1lambda5,18lambda5-diphospha-1,15-distannatetracyclo[13.4.0.04,9.016,20]nonadecane-3,10-quinone
FormulaC31 H44 N4 O6
Molecular Weight568.704
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385COc1cc2cc(OCCCn3cc(C[CH](C)COC(=O)[CH]4CCCCN4C(=O)[CH]2C5CCCCC5)nn3)c1OC
SMILESOpenEye OEToolkits2.0.7CC1Cc2cn(nn2)CCCOc3cc(cc(c3OC)OC)C(C(=O)N4CCCCC4C(=O)OC1)C5CCCCC5
Canonical SMILESCACTVS3.385 COc1cc2cc(OCCCn3cc(C[C@@H](C)COC(=O)[C@@H]4CCCCN4C(=O)[C@H]2C5CCCCC5)nn3)c1OC
Canonical SMILESOpenEye OEToolkits2.0.7 C[C@@H]1Cc2cn(nn2)CCCOc3cc(cc(c3OC)OC)[C@@H](C(=O)N4CCCC[C@H]4C(=O)OC1)C5CCCCC5
InChIInChI1.06 InChI=1S/C31H44N4O6/c1-21-16-24-19-34(33-32-24)13-9-15-40-27-18-23(17-26(38-2)29(27)39-3)28(22-10-5-4-6-11-22)30(36)35-14-8-7-12-25(35)31(37)41-20-21/h17-19,21-22,25,28H,4-16,20H2,1-3H3/t21-,25+,28+/m1/s1
InChIKeyInChI1.06 XNYXIOZDJFQUQO-ZNFSXRAMSA-N