4-[1-[2,4-bis(oxidanylidene)-1-phenyl-quinolin-3-ylidene]ethylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-[1-[2,4-bis(oxidanylidene)-1-phenyl-quinolin-3-ylidene]ethylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-[1-(2,4-dioxo-1-phenyl-3-quinolylidene)ethylamino]-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-[1-(2,4-dioxo-1-phenyl-3-quinolinylidene)ethylamino]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-[1-(2,4-dioxo-1-phenylquinolin-3-ylidene)ethylamino]-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-[1-(2,4-diketo-1-phenyl-3-quinolylidene)ethylamino]-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C27H20N2O9S2 MolecularWeight: 580.5857

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)NC4=C5C(=CC(=C4)S(=O)(=O)O)C=C(C=C5O)S(=O)(=O)O

Isomeric SMILES

CC(=C1C(=O)C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)NC4=C5C(=CC(=C4)S(=O)(=O)O)C=C(C=C5O)S(=O)(=O)O

InChI

InChI=1S/C27H20N2O9S2/c1-15(24-26(31)20-9-5-6-10-22(20)29(27(24)32)17-7-3-2-4-8-17)28-21-13-18(39(33,34)35)11-16-12-19(40(36,37)38)14-23(30)25(16)21/h2-14,28,30H,1H3,(H,33,34,35)(H,36,37,38)