BENZENESULFONIC ACID, 3,3'-[(9,10-DIHYDRO-9,10-DIOXO-1,4-ANTHRACENEDIYL)DIIMINO]BIS[2,4,6-TRIMETHYL-, COMPD. WITH1,6-HEXANEDIAMINE (1:1)

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Keyword(s): Food Contact Chemicals
Molecule Category Free-form

Structure

InChI Key PAGCKSAVALMKPU-UHFFFAOYSA-N
Smiles CC1=CC(=C(C(=C1NC2=C3C(=C(C=C2)NC4=C(C(=C(C=C4C)C)S(=O)(=O)O)C)C(=O)C5=CC=CC=C5C3=O)C)S(=O)(=O)O)C.C(CCCN)CCN
InChI
InChI=1S/C32H30N2O8S2.C6H16N2/c1-15-13-17(3)31(43(37,38)39)19(5)27(15)33-23-11-12-24(26-25(23)29(35)21-9-7-8-10-22(21)30(26)36)34-28-16(2)14-18(4)32(20(28)6)44(40,41)42;7-5-3-1-2-4-6-8/h7-14,33-34H,1-6H3,(H,37,38,39)(H,40,41,42);1-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C38H46N4O8S2
Molecular Weight 750.28
AlogP 6.76
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 11.0
Polar Surface Area 218.98
Heavy Atoms 52.0

Cross References

Resources Reference
CAS NUMBER 79665-26-2
NORMAN SUSDAT
PubChem 91808978
CONTENTS