4-(cyclobutylsulfanylamino)benzene-1,3-dicarboxylic acid; ethane

Systemtic Name: 4-(cyclobutylsulfanylamino)benzene-1,3-dicarboxylic acid; ethane Openeye Name: 4-(cyclobutylsulfanylamino)benzene-1,3-dicarboxylic acid; ethane CAS Name: 4-[(cyclobutylthio)amino]benzene-1,3-dicarboxylic acid; ethane IUPAC Name: 4-(cyclobutylsulfanylamino)benzene-1,3-dicarboxylic acid; ethane Traditional Name: 4-[(cyclobutylthio)amino]isophthalic acid; ethane Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC.C1CC(C1)SNC2=C(C=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC.C1CC(C1)SNC2=C(C=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C12H13NO4S.C2H6/c14-11(15)7-4-5-10(9(6-7)12(16)17)13-18-8-2-1-3-8;1-2/h4-6,8,13H,1-3H2,(H,14,15)(H,16,17);1-2H3