(8E)-7-azanyl-8-[(4E)-6-chloranyl-4-(5-oxidanylidene-7-sulfo-naphthalen-1-ylidene)-1H-1,3,5-triazin-2-ylidene]-4-oxidanylidene-naphthalene-2-sulfonic acid

Systemtic Name: (8E)-7-azanyl-8-[(4E)-6-chloranyl-4-(5-oxidanylidene-7-sulfo-naphthalen-1-ylidene)-1H-1,3,5-triazin-2-ylidene]-4-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: (8E)-7-amino-8-[(4E)-6-chloro-4-(5-oxo-7-sulfo-1-naphthylidene)-1H-1,3,5-triazin-2-ylidene]-4-oxo-naphthalene-2-sulfonic acid CAS Name: (8E)-7-amino-8-[(4E)-6-chloro-4-(5-oxo-7-sulfo-1-naphthalenylidene)-1H-1,3,5-triazin-2-ylidene]-4-oxo-2-naphthalenesulfonic acid IUPAC Name: (8E)-7-amino-8-[(4E)-6-chloro-4-(5-oxo-7-sulfonaphthalen-1-ylidene)-1H-1,3,5-triazin-2-ylidene]-4-oxonaphthalene-2-sulfonic acid Traditional Name: (8E)-7-amino-8-[(4E)-6-chloro-4-(5-keto-7-sulfo-1-naphthylidene)-1H-s-triazin-2-ylidene]-4-keto-naphthalene-2-sulfonic acid Formula: C23H15ClN4O8S2 MolecularWeight: 574.9702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2NC(=C3C(=CC=C4C3=CC(=CC4=O)S(=O)(=O)O)N)NC(=N2)Cl)C5=CC(=CC(=O)C5=C1)S(=O)(=O)O

Isomeric SMILES

C1=C/C(=C\2/N/C(=C/3\C(=CC=C4C3=CC(=CC4=O)S(=O)(=O)O)N)/NC(=N2)Cl)/C5=CC(=CC(=O)C5=C1)S(=O)(=O)O

InChI

InChI=1S/C23H15ClN4O8S2/c24-23-27-21(14-3-1-2-12-15(14)6-10(8-18(12)29)37(31,32)33)26-22(28-23)20-16-7-11(38(34,35)36)9-19(30)13(16)4-5-17(20)25/h1-9,26H,25H2,(H,27,28)(H,31,32,33)(H,34,35,36)/b21-14+,22-20+