3-[[5-methyl-6,8-bis(oxidanyl)naphthalen-2-yl]sulfonylamino]-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid

Systemtic Name: 3-[[5-methyl-6,8-bis(oxidanyl)naphthalen-2-yl]sulfonylamino]-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid Openeye Name: 3-[(6,8-dihydroxy-5-methyl-2-naphthyl)sulfonylamino]-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid CAS Name: 3-[(6,8-dihydroxy-5-methyl-2-naphthalenyl)sulfonylamino]-5-(trioxidanylthio)-1-naphthalenesulfonic acid IUPAC Name: 3-[(6,8-dihydroxy-5-methylnaphthalen-2-yl)sulfonylamino]-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid Traditional Name: 3-[(6,8-dihydroxy-5-methyl-2-naphthyl)sulfonylamino]-5-(trioxidanylthio)naphthalene-1-sulfonic acid Formula: C21H17NO10S3 MolecularWeight: 539.55538

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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)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)O)O

InChI

InChI=1S/C21H17NO10S3/c1-11-14-6-5-13(9-16(14)19(24)10-18(11)23)34(26,27)22-12-7-17-15(21(8-12)35(28,29)30)3-2-4-20(17)33-32-31-25/h2-10,22-25H,1H3,(H,28,29,30)