7-[(5-oxidanyl-7-sulfo-naphthalen-2-yl)carbamoylamino]naphthalene-1,3-disulfonic acid

Systemtic Name: 7-[(5-oxidanyl-7-sulfo-naphthalen-2-yl)carbamoylamino]naphthalene-1,3-disulfonic acid Openeye Name: 7-[(5-hydroxy-7-sulfo-2-naphthyl)carbamoylamino]naphthalene-1,3-disulfonic acid CAS Name: 7-[[[(5-hydroxy-7-sulfo-2-naphthalenyl)amino]-oxomethyl]amino]naphthalene-1,3-disulfonic acid IUPAC Name: 7-[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoylamino]naphthalene-1,3-disulfonic acid Traditional Name: 7-[(5-hydroxy-7-sulfo-2-naphthyl)carbamoylamino]naphthalene-1,3-disulfonic acid Formula: C21H16N2O11S3 MolecularWeight: 568.55354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)O)NC(=O)NC3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)O)NC(=O)NC3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)O

InChI

InChI=1S/C21H16N2O11S3/c24-19-9-15(35(26,27)28)7-12-5-13(3-4-17(12)19)22-21(25)23-14-2-1-11-6-16(36(29,30)31)10-20(18(11)8-14)37(32,33)34/h1-10,24H,(H2,22,23,25)(H,26,27,28)(H,29,30,31)(H,32,33,34)