[[4-[(7-methyl-8-oxidanyl-3,6-disulfo-naphthalen-1-yl)carbamoyl]phenyl]amino]boron

Systemtic Name: [[4-[(7-methyl-8-oxidanyl-3,6-disulfo-naphthalen-1-yl)carbamoyl]phenyl]amino]boron Openeye Name: [4-[(8-hydroxy-7-methyl-3,6-disulfo-1-naphthyl)carbamoyl]anilino]boron CAS Name: [4-[[(8-hydroxy-7-methyl-3,6-disulfo-1-naphthalenyl)amino]-oxomethyl]anilino]boron IUPAC Name: [4-[(8-hydroxy-7-methyl-3,6-disulfonaphthalen-1-yl)carbamoyl]anilino]boron Traditional Name: [4-[(8-hydroxy-7-methyl-3,6-disulfo-1-naphthyl)carbamoyl]anilino]boron Formula: C18H15BN2O8S2 MolecularWeight: 462.2613

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Descriptors Computed from Structure

Canonical SMILES:

[B]NC1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C(=C3O)C)S(=O)(=O)O

Isomeric SMILES

[B]NC1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C(=C3O)C)S(=O)(=O)O

InChI

InChI=1S/C18H15BN2O8S2/c1-9-15(31(27,28)29)7-11-6-13(30(24,25)26)8-14(16(11)17(9)22)20-18(23)10-2-4-12(21-19)5-3-10/h2-8,21-22H,1H3,(H,20,23)(H,24,25,26)(H,27,28,29)