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Substance Name: EINECS 279-076-4
RN: 79135-30-1
InChIKey: LFTGNARTUKOMTM-DDHAIIOASA-J

Molecular Formula

  • C66-H84-Cu2-N20-O10-S2.2C2-H4-O2.2H

Molecular Weight

  • 1630.8626
 
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Names and Synonyms

Results Name

  • EINECS 279-076-4

Synonym

  • EINECS 279-076-4

Systematic Name

  • Cuprate(2-), (mu-((3,3'-((3,3'-dihydroxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(7-((4,6-bis((3-(diethylamino)propyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-2-naphthalenesulfonato))(6-)))di-, dihydrogen, diacetate (salt)

Registry Numbers

CAS Registry Number

  • 79135-30-1

System Generated Number

  • 0079135301

Molecular Formulas

Molecular Formula

  • C66-H84-Cu2-N20-O10-S2.2C2-H4-O2.2H

Molecular Formula Fragments

  • C2-H4-O2
  • C66-H84-Cu2-N20-O10-S2
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C66H90N20O10S2.2C2H4O2.2Cu/c1-9-83(10-2)33-17-29-67-61-73-62(68-30-18-34-84(11-3)12-4)76-65(75-61)71-47-23-25-49-45(37-47)41-55(97(91,92)93)57(59(49)89)81-79-51-27-21-43(39-53(51)87)44-22-28-52(54(88)40-44)80-82-58-56(98(94,95)96)42-46-38-48(24-26-50(46)60(58)90)72-66-77-63(69-31-19-35-85(13-5)14-6)74-64(78-66)70-32-20-36-86(15-7)16-8;2*1-2(3)4;;/h21-28,37-42,87-90H,9-20,29-36H2,1-8H3,(H,91,92,93)(H,94,95,96)(H3,67,68,71,73,75,76)(H3,69,70,72,74,77,78);2*1H3,(H,3,4);;/q;;;2*+2/p-4/b81-79+,82-80+;;;;

InChIKey

LFTGNARTUKOMTM-DDHAIIOASA-J

Smiles

CCN(CC)CCCNc1nc(NCCCN(CC)CC)nc(Nc2ccc3c4O[Cu-]5Oc6cc(ccc6N=Nc4c(cc3c2)S(=O)(=O)O5)c7ccc8N=Nc9c%10O[Cu-](Oc8c7)OS(=O)(=O)c9cc%11cc(Nc%12nc(NCCCN(CC)CC)nc(NCCCN(CC)CC)n%12)ccc%10%11)n1.CC(=O)O.CC(=O)O