7-[[5-(2-ethoxy-2-oxidanylidene-ethoxy)-7-sulfo-naphthalen-2-yl]carbamoylamino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 7-[[5-(2-ethoxy-2-oxidanylidene-ethoxy)-7-sulfo-naphthalen-2-yl]carbamoylamino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 7-[[5-(2-ethoxy-2-oxo-ethoxy)-7-sulfo-2-naphthyl]carbamoylamino]-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 7-[[[[5-(2-ethoxy-2-oxoethoxy)-7-sulfo-2-naphthalenyl]amino]-oxomethyl]amino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 7-[[5-(2-ethoxy-2-oxoethoxy)-7-sulfonaphthalen-2-yl]carbamoylamino]-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 7-[[5-(2-ethoxy-2-keto-ethoxy)-7-sulfo-2-naphthyl]carbamoylamino]-4-hydroxy-naphthalene-2-sulfonic acid Formula: C25H22N2O11S2 MolecularWeight: 590.57898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C2C=CC(=CC2=CC(=C1)S(=O)(=O)O)NC(=O)NC3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)COC1=C2C=CC(=CC2=CC(=C1)S(=O)(=O)O)NC(=O)NC3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)O

InChI

InChI=1S/C25H22N2O11S2/c1-2-37-24(29)13-38-23-12-19(40(34,35)36)10-15-8-17(4-6-21(15)23)27-25(30)26-16-3-5-20-14(7-16)9-18(11-22(20)28)39(31,32)33/h3-12,28H,2,13H2,1H3,(H2,26,27,30)(H,31,32,33)(H,34,35,36)