3,5-dimethyl-2-[(2E)-2-(1-oxidanylidene-5-sulfooxy-naphthalen-2-ylidene)hydrazinyl]benzenesulfonic acid

Systemtic Name: 3,5-dimethyl-2-[(2E)-2-(1-oxidanylidene-5-sulfooxy-naphthalen-2-ylidene)hydrazinyl]benzenesulfonic acid Openeye Name: 3,5-dimethyl-2-[(2E)-2-(1-oxo-5-sulfooxy-2-naphthylidene)hydrazino]benzenesulfonic acid CAS Name: 3,5-dimethyl-2-[(2E)-2-(1-oxo-5-sulfooxy-2-naphthalenylidene)hydrazinyl]benzenesulfonic acid IUPAC Name: 3,5-dimethyl-2-[(2E)-2-(1-oxo-5-sulfooxynaphthalen-2-ylidene)hydrazinyl]benzenesulfonic acid Traditional Name: 2-[(N'E)-N'-(1-keto-5-sulfoxy-2-naphthylidene)hydrazino]-3,5-dimethyl-besylic acid Formula: C18H16N2O8S2 MolecularWeight: 452.45824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)S(=O)(=O)O)NN=C2C=CC3=C(C2=O)C=CC=C3OS(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)S(=O)(=O)O)N/N=C/2\C=CC3=C(C2=O)C=CC=C3OS(=O)(=O)O)C

InChI

InChI=1S/C18H16N2O8S2/c1-10-8-11(2)17(16(9-10)29(22,23)24)20-19-14-7-6-12-13(18(14)21)4-3-5-15(12)28-30(25,26)27/h3-9,20H,1-2H3,(H,22,23,24)(H,25,26,27)/b19-14+