7-[(2-methyl-5-sulfo-phenyl)amino]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 7-[(2-methyl-5-sulfo-phenyl)amino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 7-(2-methyl-5-sulfo-anilino)naphthalene-1,3,6-trisulfonic acid CAS Name: 7-(2-methyl-5-sulfoanilino)naphthalene-1,3,6-trisulfonic acid IUPAC Name: 7-(2-methyl-5-sulfoanilino)naphthalene-1,3,6-trisulfonic acid Traditional Name: 7-(2-methyl-5-sulfo-anilino)naphthalene-1,3,6-trisulfonic acid Formula: C17H15NO12S4 MolecularWeight: 553.5605

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)O)NC2=C(C=C3C=C(C=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)O)NC2=C(C=C3C=C(C=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C17H15NO12S4/c1-9-2-3-11(31(19,20)21)6-14(9)18-15-8-13-10(5-17(15)34(28,29)30)4-12(32(22,23)24)7-16(13)33(25,26)27/h2-8,18H,1H3,(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)