Copper, [29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, chlorosulfonyl derivs., reaction products with 2-[(4-aminophenyl)sulfonyl]ethyl hydrogen sulfate monosodium salt, saponified, sodium salts

85585-88-2

CAS Name

Copper, [29H,31H-phthalocyaninato(2-)-N²⁹,N³⁰,N³¹,N³²]-, chlorosulfonyl derivs., reaction products with 2-[(4-aminophenyl)sulfonyl]ethyl hydrogen sulfate monosodium salt, saponified, sodium salts

Molecular Formula

C₃₂H₁₆CuN₈.C₈H₁₁NO₆S₂.2Na

Other Names and Identifiers

InChI

InChI=1S/C32H16N8.C8H11NO6S2.Cu.2Na/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;9-7-1-3-8(4-2-7)16(10,11)6-5-15-17(12,13)14;;;/h1-16H;1-4H,5-6,9H2,(H,12,13,14);;;/q-2;;+2;;

InChIKey

InChIKey=QKDICXWVFPDBBJ-UHFFFAOYSA-N

SMILES

S(CCOS(=O)(=O)O)(=O)(=O)C1=CC=C(N)C=C1.[Na].[Na].[Cu+2]123[N-]4C=5C=6C(C4=NC7=[N]1C(=NC=8[N-]2C(=C9C8C=CC=C9)N=C%10[N]3=C(N5)C=%11C%10=CC=CC%11)C=%12C7=CC=CC%12)=CC=CC6

Canonical SMILES

[Na].[Na].O=S(=O)(O)OCCS(=O)(=O)C1=CC=C(N)C=C1.N=1C=2C=3C=CC=CC3C4=NC5=C6C=CC=CC6=C7N=C8C=9C=CC=CC9C=%10N=C%11C=%12C=CC=CC%12C1[N-]%11[Cu+2]([N]24)([N]%108)[N-]57

Other Names for this Substance