Benzenesulfonic acid, 4-[[2-[[2,5-dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-1,3-dioxobutyl]amino]-5-methoxy-2-methyl-, sodium salt

CAS Name

Benzenesulfonic acid, 4-[[2-[2-[2,5-dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-1,3-dioxobutyl]amino]-5-methoxy-2-methyl-, sodium salt (1:?)

Molecular Formula

C₂₂H₂₇N₃O₁₄S₃.xNa

Other Names and Identifiers

InChI

InChI=1S/C22H27N3O14S3.Na/c1-12-8-14(16(36-3)10-19(12)41(30,31)32)23-22(27)21(13(2)26)25-24-15-9-18(38-5)20(11-17(15)37-4)40(28,29)7-6-39-42(33,34)35;/h8-11,21H,6-7H2,1-5H3,(H,23,27)(H,30,31,32)(H,33,34,35);

InChIKey

InChIKey=PXSNHDJENRLHJX-UHFFFAOYSA-N

SMILES

S(CCOS(=O)(=O)O)(=O)(=O)C1=C(OC)C=C(N=NC(C(NC2=C(OC)C=C(S(=O)(=O)O)C(C)=C2)=O)C(C)=O)C(OC)=C1.[Na]

Canonical SMILES

[Na].O=C(NC=1C=C(C(=CC1OC)S(=O)(=O)O)C)C(N=NC=2C=C(OC)C(=CC2OC)S(=O)(=O)CCOS(=O)(=O)O)C(=O)C

Other Names for this Substance