2-[(2E)-2-[8-methyl-1-oxidanylidene-6-sulfo-3-(trioxidanylsulfanyl)naphthalen-2-ylidene]hydrazinyl]naphthalene-1,5-disulfonic acid

Systemtic Name: 2-[(2E)-2-[8-methyl-1-oxidanylidene-6-sulfo-3-(trioxidanylsulfanyl)naphthalen-2-ylidene]hydrazinyl]naphthalene-1,5-disulfonic acid Openeye Name: 2-[(2E)-2-[8-methyl-1-oxo-6-sulfo-3-(trioxidanylsulfanyl)-2-naphthylidene]hydrazino]naphthalene-1,5-disulfonic acid CAS Name: 2-[(2E)-2-[8-methyl-1-oxo-6-sulfo-3-(trioxidanylthio)-2-naphthalenylidene]hydrazinyl]naphthalene-1,5-disulfonic acid IUPAC Name: 2-[(2E)-2-[8-methyl-1-oxo-6-sulfo-3-(trioxidanylsulfanyl)naphthalen-2-ylidene]hydrazinyl]naphthalene-1,5-disulfonic acid Traditional Name: 2-[(N'E)-N'-[1-keto-8-methyl-6-sulfo-3-(trioxidanylthio)-2-naphthylidene]hydrazino]naphthalene-1,5-disulfonic acid Formula: C21H16N2O13S4 MolecularWeight: 632.61734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C(=NNC3=C(C4=C(C=C3)C(=CC=C4)S(=O)(=O)O)S(=O)(=O)O)C2=O)SOOO

Isomeric SMILES

CC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(/C(=N/NC3=C(C4=C(C=C3)C(=CC=C4)S(=O)(=O)O)S(=O)(=O)O)/C2=O)SOOO

InChI

InChI=1S/C21H16N2O13S4/c1-10-7-12(38(26,27)28)8-11-9-16(37-36-35-25)19(20(24)18(10)11)23-22-15-6-5-13-14(21(15)40(32,33)34)3-2-4-17(13)39(29,30)31/h2-9,22,25H,1H3,(H,26,27,28)(H,29,30,31)(H,32,33,34)/b23-19-