4-methyl-3-oxidanyl-7-[[4-sulfo-8-(trioxidanylsulfanyl)naphthalen-2-yl]sulfamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 4-methyl-3-oxidanyl-7-[[4-sulfo-8-(trioxidanylsulfanyl)naphthalen-2-yl]sulfamoyl]naphthalene-1-carboxylic acid Openeye Name: 3-hydroxy-4-methyl-7-[[4-sulfo-8-(trioxidanylsulfanyl)-2-naphthyl]sulfamoyl]naphthalene-1-carboxylic acid CAS Name: 3-hydroxy-4-methyl-7-[[4-sulfo-8-(trioxidanylthio)-2-naphthalenyl]sulfamoyl]-1-naphthalenecarboxylic acid IUPAC Name: 3-hydroxy-4-methyl-7-[[4-sulfo-8-(trioxidanylsulfanyl)naphthalen-2-yl]sulfamoyl]naphthalene-1-carboxylic acid Traditional Name: 3-hydroxy-4-methyl-7-[[4-sulfo-8-(trioxidanylthio)-2-naphthyl]sulfamoyl]-1-naphthoic acid Formula: C22H17NO11S3 MolecularWeight: 567.56548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=C4C=CC=C(C4=C3)SOOO)S(=O)(=O)O)C(=O)O)O

Isomeric SMILES

CC1=C(C=C(C2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=C4C=CC=C(C4=C3)SOOO)S(=O)(=O)O)C(=O)O)O

InChI

InChI=1S/C22H17NO11S3/c1-11-14-6-5-13(9-16(14)18(22(25)26)10-19(11)24)36(28,29)23-12-7-17-15(21(8-12)37(30,31)32)3-2-4-20(17)35-34-33-27/h2-10,23-24,27H,1H3,(H,25,26)(H,30,31,32)