9-[bis(1-sulfopropyl)amino]phenanthrene-1,2-dicarboxylic acid

Systemtic Name: 9-[bis(1-sulfopropyl)amino]phenanthrene-1,2-dicarboxylic acid Openeye Name: 9-[bis(1-sulfopropyl)amino]phenanthrene-1,2-dicarboxylic acid CAS Name: 9-[bis(1-sulfopropyl)amino]phenanthrene-1,2-dicarboxylic acid IUPAC Name: 9-[bis(1-sulfopropyl)amino]phenanthrene-1,2-dicarboxylic acid Traditional Name: 9-[bis(1-sulfopropyl)amino]phenanthrene-1,2-dicarboxylic acid Formula: C22H23NO10S2 MolecularWeight: 525.54872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N(C1=CC2=C(C=CC(=C2C(=O)O)C(=O)O)C3=CC=CC=C31)C(CC)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCC(N(C1=CC2=C(C=CC(=C2C(=O)O)C(=O)O)C3=CC=CC=C31)C(CC)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C22H23NO10S2/c1-3-18(34(28,29)30)23(19(4-2)35(31,32)33)17-11-16-13(12-7-5-6-8-14(12)17)9-10-15(21(24)25)20(16)22(26)27/h5-11,18-19H,3-4H2,1-2H3,(H,24,25)(H,26,27)(H,28,29,30)(H,31,32,33)