Boron(1+), bis[1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dionato-κO,κO′]-, (T-4)-

CAS Registry Number®

37204-72-1

CAS Name

Boron(1+), bis[1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dionato-κO,κO′]-, (T-4)-

Molecular Formula

C42H38BO12

Cite this Page

Boron(1+), bis[1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dionato-κO,κO′]-, (T-4)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=37204-72-1 (retrieved 2024-12-26) (CAS RN: 37204-72-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H38BO12/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/h5-26,44-47H,1-4H3/q+1

InChIKey

InChIKey=NGNUNUHXKOAHSO-UHFFFAOYSA-N

SMILES

C(=CC1=CC(OC)=C(O)C=C1)C2=O[B+3]3(O=C(C=CC4=CC(OC)=C(O)C=C4)[CH-]C(C=CC5=CC(OC)=C(O)C=C5)=O3)O=C(C=CC6=CC(OC)=C(O)C=C6)[CH-]2

Canonical SMILES

OC1=CC=C(C=CC2=O[B+3]3(O=C(C=CC4=CC=C(O)C(OC)=C4)[CH-]2)O=C(C=CC5=CC=C(O)C(OC)=C5)[CH-]C(=O3)C=CC6=CC=C(O)C(OC)=C6)C=C1OC

Other Names for this Substance

  • Boron(1+), bis[1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dionato-κO,κO′]-, (T-4)-
  • Boron(1+), bis[1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dionato-O3,O5]-, (T-4)-
  • Rosocyanin
  • 1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, boron complex

Deleted or Replaced CAS Registry Numbers

47891-83-8

CAS INSIGHTSTM
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