2-Naphthalenesulfonic acid, 4-hydroxy-3-[[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-7-[(sulfomethyl)amino]-8-[[2-sulfo-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, pentasodium salt

607724-42-5

CAS Name

2-Naphthalenesulfonic acid, 4-hydroxy-3-[2-[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-7-[(sulfomethyl)amino]-8-[2-[2-sulfo-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:5)

Molecular Formula

C₂₈H₂₉N₅O₂₃S₇.5Na

Other Names and Identifiers

InChI

InChI=1S/C28H29N5O23S7.5Na/c1-54-23-7-3-16(57(35,36)10-8-55-62(48,49)50)12-22(23)31-33-27-25(61(45,46)47)14-19-18(28(27)34)4-6-21(29-15-59(39,40)41)26(19)32-30-20-5-2-17(13-24(20)60(42,43)44)58(37,38)11-9-56-63(51,52)53;;;;;/h2-7,12-14,29,34H,8-11,15H2,1H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;;;

InChIKey

InChIKey=PJSGKFCHIXLGAR-UHFFFAOYSA-N

SMILES

N(=NC1=C(S(=O)(=O)O)C=C(S(CCOS(=O)(=O)O)(=O)=O)C=C1)C=2C3=C(C(O)=C(N=NC4=C(OC)C=CC(S(CCOS(=O)(=O)O)(=O)=O)=C4)C(S(=O)(=O)O)=C3)C=CC2NCS(=O)(=O)O.[Na]

Canonical SMILES

[Na].O=S(=O)(O)OCCS(=O)(=O)C1=CC=C(OC)C(N=NC=2C(O)=C3C=CC(NCS(=O)(=O)O)=C(N=NC4=CC=C(C=C4S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O)C3=CC2S(=O)(=O)O)=C1

Other Names for this Substance