rosocyanine (Q905712)

Rosocyanine (English)

21 September 2016

chemical formula

C₄₂H₄₄BClO₁₂

1 reference

Rosocyanine (English)

21 September 2016

canonical SMILES

[B+]12(OC(CC(O1)C=CC3=CC(=C(C=C3)O)OC)C=CC4=CC(=C(C=C4)O)OC)OC(CC(O2)C=CC5=CC(=C(C=C5)O)OC)C=CC6=CC(=C(C=C6)O)OC.[Cl-]

1 reference

Rosocyanine (English)

21 September 2016

isomeric SMILES

[B+]12(OC(CC(O1)/C=C/C3=CC(=C(C=C3)O)OC)/C=C/C4=CC(=C(C=C4)O)OC)OC(CC(O2)/C=C/C5=CC(=C(C=C5)O)OC)/C=C/C6=CC(=C(C=C6)O)OC.[Cl-]

1 reference

Rosocyanine (English)

InChI=1S/C42H44BO12.ClH/c1-48-39-21-27(9-17-35(39)44)5-13-31-25-32(14-6-28-10-18-36(45)40(22-28)49-2)53-43(52-31)54-33(15-7-29-11-19-37(46)41(23-29)50-3)26-34(55-43)16-8-30-12-20-38(47)42(24-30)51-4;/h5-24,31-34,44-47H,25-26H2,1-4H3;1H/q+1;/p-1/b13-5+,14-6+,15-7+,16-8+;

21 September 2016

Identifiers

InChI

1 reference

Rosocyanine (English)

XZWTYNUGOWPDCM-JWMINOHISA-M

21 September 2016

InChIKey

1 reference

Rosocyanine (English)

imported from Wikimedia project

21 September 2016

CAS Registry Number

37204-72-1

1 reference

1 reference

2,4,8,10-Tetrakis[(E)-2-(4-hydroxy-3-methoxyphenyl)vinyl]-1,5,7,11-tetraoxa-6-boroniaspiro[5.5]undecane chloride (English)

21 September 2016

1 reference