2-[6-[[5-methyl-7-(trioxidanylsulfanyl)naphthalen-2-yl]carbamoylamino]-3-sulfo-naphthalen-1-yl]oxyethanoic acid

Systemtic Name: 2-[6-[[5-methyl-7-(trioxidanylsulfanyl)naphthalen-2-yl]carbamoylamino]-3-sulfo-naphthalen-1-yl]oxyethanoic acid Openeye Name: 2-[[6-[[5-methyl-7-(trioxidanylsulfanyl)-2-naphthyl]carbamoylamino]-3-sulfo-1-naphthyl]oxy]acetic acid CAS Name: 2-[[6-[[[[5-methyl-7-(trioxidanylthio)-2-naphthalenyl]amino]-oxomethyl]amino]-3-sulfo-1-naphthalenyl]oxy]acetic acid IUPAC Name: 2-[6-[[5-methyl-7-(trioxidanylsulfanyl)naphthalen-2-yl]carbamoylamino]-3-sulfonaphthalen-1-yl]oxyacetic acid Traditional Name: 2-[6-[[5-methyl-7-(trioxidanylthio)-2-naphthyl]carbamoylamino]-3-sulfo-1-naphthoxy]acetic acid Formula: C24H20N2O10S2 MolecularWeight: 560.553

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=CC2=CC(=C1)SOOO)NC(=O)NC3=CC4=CC(=CC(=C4C=C3)OCC(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C2C=CC(=CC2=CC(=C1)SOOO)NC(=O)NC3=CC4=CC(=CC(=C4C=C3)OCC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C24H20N2O10S2/c1-13-6-18(37-36-35-30)9-14-7-16(2-4-20(13)14)25-24(29)26-17-3-5-21-15(8-17)10-19(38(31,32)33)11-22(21)34-12-23(27)28/h2-11,30H,12H2,1H3,(H,27,28)(H2,25,26,29)(H,31,32,33)