sodium 4-oxidanyl-7-[(5-oxidanyl-7-sulfo-naphthalen-2-yl)carbamoylamino]naphthalene-2-sulfonate

Systemtic Name: sodium 4-oxidanyl-7-[(5-oxidanyl-7-sulfo-naphthalen-2-yl)carbamoylamino]naphthalene-2-sulfonate Openeye Name: sodium 4-hydroxy-7-[(5-hydroxy-7-sulfo-2-naphthyl)carbamoylamino]naphthalene-2-sulfonate CAS Name: sodium 4-hydroxy-7-[[[(5-hydroxy-7-sulfo-2-naphthalenyl)amino]-oxomethyl]amino]-2-naphthalenesulfonate IUPAC Name: sodium 4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoylamino]naphthalene-2-sulfonate Traditional Name: sodium 4-hydroxy-7-[(5-hydroxy-7-sulfo-2-naphthyl)carbamoylamino]naphthalene-2-sulfonate Formula: C21H15N2NaO9S2 MolecularWeight: 526.47157

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C=C1NC(=O)NC3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)[O-])S(=O)(=O)O)O.[Na+]

Isomeric SMILES

C1=CC2=C(C=C(C=C2C=C1NC(=O)NC3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)[O-])S(=O)(=O)O)O.[Na+]

InChI

InChI=1S/C21H16N2O9S2.Na/c24-19-9-15(33(27,28)29)7-11-5-13(1-3-17(11)19)22-21(26)23-14-2-4-18-12(6-14)8-16(10-20(18)25)34(30,31)32;/h1-10,24-25H,(H2,22,23,26)(H,27,28,29)(H,30,31,32);/q;+1/p-1