sodium 4-[(2E)-2-[4-(diethylamino)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinyl]-5-oxidanyl-7-sulfo-naphthalene-2-sulfonate

Systemtic Name: sodium 4-[(2E)-2-[4-(diethylamino)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinyl]-5-oxidanyl-7-sulfo-naphthalene-2-sulfonate Openeye Name: sodium 4-[(2E)-2-[4-(diethylamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]hydrazino]-5-hydroxy-7-sulfo-naphthalene-2-sulfonate CAS Name: sodium 4-[(2E)-2-[4-(diethylamino)-6-oxo-1-cyclohexa-2,4-dienylidene]hydrazinyl]-5-hydroxy-7-sulfo-2-naphthalenesulfonate IUPAC Name: sodium 4-[(2E)-2-[4-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinyl]-5-hydroxy-7-sulfonaphthalene-2-sulfonate Traditional Name: sodium 4-[(N'E)-N'-[4-(diethylamino)-6-keto-cyclohexa-2,4-dien-1-ylidene]hydrazino]-5-hydroxy-7-sulfo-naphthalene-2-sulfonate Formula: C20H20N3NaO8S2 MolecularWeight: 517.50787

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=O)C(=NNC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)O)C=C1.[Na+]

Isomeric SMILES

CCN(CC)C1=CC(=O)/C(=N/NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)O)/C=C1.[Na+]

InChI

InChI=1S/C20H21N3O8S2.Na/c1-3-23(4-2)13-5-6-16(18(24)9-13)21-22-17-10-14(32(26,27)28)7-12-8-15(33(29,30)31)11-19(25)20(12)17;/h5-11,22,25H,3-4H2,1-2H3,(H,26,27,28)(H,29,30,31);/q;+1/p-1/b21-16+;