5-(butylcarbamoyl)-2-[4-[4-(butylcarbamoyl)-2-sulfo-phenoxy]carbonylphenyl]carbonyl-benzenesulfonic acid

Systemtic Name: 5-(butylcarbamoyl)-2-[4-[4-(butylcarbamoyl)-2-sulfo-phenoxy]carbonylphenyl]carbonyl-benzenesulfonic acid Openeye Name: 5-(butylcarbamoyl)-2-[4-[4-(butylcarbamoyl)-2-sulfo-phenoxy]carbonylbenzoyl]benzenesulfonic acid CAS Name: 5-[butylamino(oxo)methyl]-2-[[4-[[4-[butylamino(oxo)methyl]-2-sulfophenoxy]-oxomethyl]phenyl]-oxomethyl]benzenesulfonic acid IUPAC Name: 5-(butylcarbamoyl)-2-[4-[4-(butylcarbamoyl)-2-sulfophenoxy]carbonylbenzoyl]benzenesulfonic acid Traditional Name: 5-(butylcarbamoyl)-2-[4-[4-(butylcarbamoyl)-2-sulfo-phenoxy]carbonylbenzoyl]besylic acid Formula: C30H32N2O11S2 MolecularWeight: 660.71188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)C(=O)NCCCC)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCNC(=O)C1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)C(=O)NCCCC)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C30H32N2O11S2/c1-3-5-15-31-28(34)21-11-13-23(25(17-21)44(37,38)39)27(33)19-7-9-20(10-8-19)30(36)43-24-14-12-22(18-26(24)45(40,41)42)29(35)32-16-6-4-2/h7-14,17-18H,3-6,15-16H2,1-2H3,(H,31,34)(H,32,35)(H,37,38,39)(H,40,41,42)