4-[[4-oxidanylidene-4-[(4-sulfonaphthalen-1-yl)amino]butanoyl]amino]naphthalene-1-sulfonic acid

Systemtic Name: 4-[[4-oxidanylidene-4-[(4-sulfonaphthalen-1-yl)amino]butanoyl]amino]naphthalene-1-sulfonic acid Openeye Name: 4-[[4-oxo-4-[(4-sulfo-1-naphthyl)amino]butanoyl]amino]naphthalene-1-sulfonic acid CAS Name: 4-[[1,4-dioxo-4-[(4-sulfo-1-naphthalenyl)amino]butyl]amino]-1-naphthalenesulfonic acid IUPAC Name: 4-[[4-oxo-4-[(4-sulfonaphthalen-1-yl)amino]butanoyl]amino]naphthalene-1-sulfonic acid Traditional Name: 4-[[4-keto-4-[(4-sulfo-1-naphthyl)amino]butanoyl]amino]naphthalene-1-sulfonic acid Formula: C24H20N2O8S2 MolecularWeight: 528.5542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)NC(=O)CCC(=O)NC3=CC=C(C4=CC=CC=C43)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)NC(=O)CCC(=O)NC3=CC=C(C4=CC=CC=C43)S(=O)(=O)O

InChI

InChI=1S/C24H20N2O8S2/c27-23(25-19-9-11-21(35(29,30)31)17-7-3-1-5-15(17)19)13-14-24(28)26-20-10-12-22(36(32,33)34)18-8-4-2-6-16(18)20/h1-12H,13-14H2,(H,25,27)(H,26,28)(H,29,30,31)(H,32,33,34)