[[6-methoxy-3-[(2E)-2-(3-methyl-1-oxidanylidene-naphthalen-2-ylidene)hydrazinyl]-2-sulfo-phenyl]methyl-methyl-amino]boron

Systemtic Name: [[6-methoxy-3-[(2E)-2-(3-methyl-1-oxidanylidene-naphthalen-2-ylidene)hydrazinyl]-2-sulfo-phenyl]methyl-methyl-amino]boron Openeye Name: [[6-methoxy-3-[(2E)-2-(3-methyl-1-oxo-2-naphthylidene)hydrazino]-2-sulfo-phenyl]methyl-methyl-amino]boron CAS Name: [[6-methoxy-3-[(2E)-2-(3-methyl-1-oxo-2-naphthalenylidene)hydrazinyl]-2-sulfophenyl]methyl-methylamino]boron IUPAC Name: [[6-methoxy-3-[(2E)-2-(3-methyl-1-oxonaphthalen-2-ylidene)hydrazinyl]-2-sulfophenyl]methyl-methylamino]boron Traditional Name: [[3-[(N'E)-N'-(1-keto-3-methyl-2-naphthylidene)hydrazino]-6-methoxy-2-sulfo-benzyl]-methyl-amino]boron Formula: C20H20BN3O5S MolecularWeight: 425.2659

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Descriptors Computed from Structure

Canonical SMILES:

[B]N(C)CC1=C(C=CC(=C1S(=O)(=O)O)NN=C2C(=CC3=CC=CC=C3C2=O)C)OC

Isomeric SMILES

[B]N(C)CC1=C(C=CC(=C1S(=O)(=O)O)N/N=C/2\C(=CC3=CC=CC=C3C2=O)C)OC

InChI

InChI=1S/C20H20BN3O5S/c1-12-10-13-6-4-5-7-14(13)19(25)18(12)23-22-16-8-9-17(29-3)15(11-24(2)21)20(16)30(26,27)28/h4-10,22H,11H2,1-3H3,(H,26,27,28)/b23-18+