Ethanol, 2-amino-, 7,7′-(carbonyldiimino)bis[4-hydroxy-3-[(6-sulfo-2-naphthalenyl)azo]-2-naphthalenesulfonate] (salt), sodium salt

85959-62-2

CAS Name

2-Naphthalenesulfonic acid, 7,7′-(carbonyldiimino)bis[4-hydroxy-3-[(6-sulfo-2-naphthalenyl)azo]-, sodium salt, compd. with 2-aminoethanol

Molecular Formula

C₄₁H₂₈N₆O₁₅S₄.xC₂H₇NO.xNa

Other Names and Identifiers

InChI

InChI=1S/C41H28N6O15S4.C2H7NO.Na/c48-39-33-11-7-27(15-25(33)19-35(65(57,58)59)37(39)46-44-29-5-1-23-17-31(63(51,52)53)9-3-21(23)13-29)42-41(50)43-28-8-12-34-26(16-28)20-36(66(60,61)62)38(40(34)49)47-45-30-6-2-24-18-32(64(54,55)56)10-4-22(24)14-30;3-1-2-4;/h1-20,48-49H,(H2,42,43,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);4H,1-3H2;

InChIKey

InChIKey=QWSIYTXKWLNGJU-UHFFFAOYSA-N

SMILES

OC=1C2=C(C=C(S(=O)(=O)O)C1N=NC3=CC4=C(C=C3)C=C(S(=O)(=O)O)C=C4)C=C(NC(NC5=CC6=C(C=C5)C(O)=C(N=NC7=CC8=C(C=C7)C=C(S(=O)(=O)O)C=C8)C(S(=O)(=O)O)=C6)=O)C=C2.C(CO)N.[Na]

Canonical SMILES

[Na].O=C(NC=1C=CC2=C(O)C(N=NC=3C=CC4=CC(=CC=C4C3)S(=O)(=O)O)=C(C=C2C1)S(=O)(=O)O)NC=5C=CC6=C(O)C(N=NC=7C=CC8=CC(=CC=C8C7)S(=O)(=O)O)=C(C=C6C5)S(=O)(=O)O.OCCN

Other Names for this Substance