2-[(2Z)-2-(6-azanyl-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene)hydrazinyl]terephthalic acid

Systemtic Name: 2-[(2Z)-2-(6-azanyl-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene)hydrazinyl]terephthalic acid Openeye Name: 2-[(2Z)-2-(6-amino-1-oxo-3-sulfo-2-naphthylidene)hydrazino]terephthalic acid CAS Name: 2-[(2Z)-2-(6-amino-1-oxo-3-sulfo-2-naphthalenylidene)hydrazinyl]terephthalic acid IUPAC Name: 2-[(2Z)-2-(6-amino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]terephthalic acid Traditional Name: 2-[(N'Z)-N'-(6-amino-1-keto-3-sulfo-2-naphthylidene)hydrazino]terephthalic acid Formula: C18H13N3O8S MolecularWeight: 431.37612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NN=C2C(=CC3=C(C2=O)C=CC(=C3)N)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)N/N=C/2\C(=CC3=C(C2=O)C=CC(=C3)N)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C18H13N3O8S/c19-10-2-4-11-9(5-10)7-14(30(27,28)29)15(16(11)22)21-20-13-6-8(17(23)24)1-3-12(13)18(25)26/h1-7,20H,19H2,(H,23,24)(H,25,26)(H,27,28,29)/b21-15+