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

Systemtic Name: 7-[(5-methoxy-7-sulfo-naphthalen-2-yl)carbamoylamino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 4-hydroxy-7-[(5-methoxy-7-sulfo-2-naphthyl)carbamoylamino]naphthalene-2-sulfonic acid CAS Name: 4-hydroxy-7-[[[(5-methoxy-7-sulfo-2-naphthalenyl)amino]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-7-[(5-methoxy-7-sulfonaphthalen-2-yl)carbamoylamino]naphthalene-2-sulfonic acid Traditional Name: 4-hydroxy-7-[(5-methoxy-7-sulfo-2-naphthyl)carbamoylamino]naphthalene-2-sulfonic acid Formula: C22H18N2O9S2 MolecularWeight: 518.51632

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Descriptors Computed from Structure

Canonical SMILES:

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

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/C22H18N2O9S2/c1-33-21-11-17(35(30,31)32)9-13-7-15(3-5-19(13)21)24-22(26)23-14-2-4-18-12(6-14)8-16(10-20(18)25)34(27,28)29/h2-11,25H,1H3,(H2,23,24,26)(H,27,28,29)(H,30,31,32)