3-[[4-[[2-methoxy-5-methyl-4-[[3-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]amino]-6-(3-sulfopropylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]propane-1-sulfonic acid

Systemtic Name: 3-[[4-[[2-methoxy-5-methyl-4-[[3-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]amino]-6-(3-sulfopropylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]propane-1-sulfonic acid Openeye Name: 3-[[4-[2-methoxy-5-methyl-4-[3-(trioxidanylsulfanyl)phenyl]azo-anilino]-6-(3-sulfopropylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]propane-1-sulfonic acid CAS Name: 3-[[4-[2-methoxy-5-methyl-4-[3-(trioxidanylthio)phenyl]azoanilino]-6-(3-sulfopropylthio)-1,3,5-triazin-2-yl]thio]-1-propanesulfonic acid IUPAC Name: 3-[[4-[2-methoxy-5-methyl-4-[[3-(trioxidanylsulfanyl)phenyl]diazenyl]anilino]-6-(3-sulfopropylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]propane-1-sulfonic acid Traditional Name: 3-[[4-[2-methoxy-5-methyl-4-[3-(trioxidanylthio)phenyl]azo-anilino]-6-(3-sulfopropylthio)-s-triazin-2-yl]thio]propane-1-sulfonic acid Formula: C23H28N6O10S5 MolecularWeight: 708.82762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=NC2=CC(=CC=C2)SOOO)OC)NC3=NC(=NC(=N3)SCCCS(=O)(=O)O)SCCCS(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1N=NC2=CC(=CC=C2)SOOO)OC)NC3=NC(=NC(=N3)SCCCS(=O)(=O)O)SCCCS(=O)(=O)O

InChI

InChI=1S/C23H28N6O10S5/c1-15-12-19(20(37-2)14-18(15)29-28-16-6-3-7-17(13-16)42-39-38-30)24-21-25-22(40-8-4-10-43(31,32)33)27-23(26-21)41-9-5-11-44(34,35)36/h3,6-7,12-14,30H,4-5,8-11H2,1-2H3,(H,31,32,33)(H,34,35,36)(H,24,25,26,27)