4-[2-methyl-5-[(4-sulfophenyl)amino]thiophen-3-yl]benzenesulfonic acid

Systemtic Name: 4-[2-methyl-5-[(4-sulfophenyl)amino]thiophen-3-yl]benzenesulfonic acid Openeye Name: 4-[2-methyl-5-(4-sulfoanilino)-3-thienyl]benzenesulfonic acid CAS Name: 4-[2-methyl-5-(4-sulfoanilino)-3-thiophenyl]benzenesulfonic acid IUPAC Name: 4-[2-methyl-5-(4-sulfoanilino)thiophen-3-yl]benzenesulfonic acid Traditional Name: 4-[2-methyl-5-(4-sulfoanilino)-3-thienyl]besylic acid Formula: C17H15NO6S3 MolecularWeight: 425.4991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)NC2=CC=C(C=C2)S(=O)(=O)O)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(S1)NC2=CC=C(C=C2)S(=O)(=O)O)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C17H15NO6S3/c1-11-16(12-2-6-14(7-3-12)26(19,20)21)10-17(25-11)18-13-4-8-15(9-5-13)27(22,23)24/h2-10,18H,1H3,(H,19,20,21)(H,22,23,24)