(E)-2-oxidanyl-2-[[(2R,3S)-2,5,7,8-tetramethyl-6-oxidanyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-3-yl]oxy]ethenediazonium

Systemtic Name: (E)-2-oxidanyl-2-[[(2R,3S)-2,5,7,8-tetramethyl-6-oxidanyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-3-yl]oxy]ethenediazonium Openeye Name: (E)-2-hydroxy-2-[(2R,3S)-6-hydroxy-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-3-yl]oxy-ethenediazonium CAS Name: (E)-2-hydroxy-2-[[(2R,3S)-6-hydroxy-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-3-yl]oxy]ethenediazonium IUPAC Name: (E)-2-hydroxy-2-[[(2R,3S)-6-hydroxy-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-3-yl]oxy]ethenediazonium Traditional Name: (E)-2-hydroxy-2-[(2R,3S)-6-hydroxy-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-3-yl]oxy-ethenediazonium Formula: C31H51N2O4+ MolecularWeight: 515.74764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CC(C(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)OC(=C[N+]#N)O)C)O

Isomeric SMILES

CC1=C(C(=C2C[C@@H]([C@@](OC2=C1C)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O/C(=C/[N+]#N)/O)C)O

InChI

InChI=1S/C31H50N2O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-31(8)27(36-28(34)19-33-32)18-26-25(7)29(35)23(5)24(6)30(26)37-31/h19-22,27H,9-18H2,1-8H3,(H-,34,35)/p+1/b28-19+/t21-,22-,27+,31-/m1/s1