4-[[4-(BIS[4-[(3-METHYLPHENYL)AMINO]PHENYL]METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE]AMINO]-2-METHYLBENZENESULFONIC ACID

CAS No.
6417-46-5
CCD No.
CCD08275935
Formula
C40 H35 N3 O3 S
MolWeight
637.8

Basic Information

Product Name: 4-[[4-(BIS[4-[(3-METHYLPHENYL)AMINO]PHENYL]METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE]AMINO]-2-METHYLBENZENESULFONIC ACID
CAS: 6417-46-5
English Synonyms: CI PIGMENT BLUE 56 ; 4-[[4-(BIS[4-[(3-METHYLPHENYL)AMINO]PHENYL]METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE]AMINO]-2-METHYLBENZENESULFONIC ACID ; PIGMENT BLUE 56
MDL Number.: MFCD23160434
H bond acceptor: 6
H bond donor: 3
Smile: Cc1cccc(c1)Nc2ccc(cc2)C(=C3C=CC(=Nc4ccc(c(c4)C)S(=O)(=O)O)C=C3)c5ccc(cc5)Nc6cccc(c6)C
InChi: InChI=1S/C40H35N3O3S/c1-27-6-4-8-36(24-27)41-33-16-10-30(11-17-33)40(31-12-18-34(19-13-31)42-37-9-5-7-28(2)25-37)32-14-20-35(21-15-32)43-38-22-23-39(29(3)26-38)47(44,45)46/h4-26,41-42H,1-3H3,(H,44,45,46)
InChiKey: InChIKey=TXAUDDRTMUBUAL-UHFFFAOYSA-N

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