6-(2-hydroxyethylsulfonyl)-2-[[6-(2-hydroxyethylsulfonyl)-1-sulfo-naphthalen-2-yl]carbamoylamino]naphthalene-1-sulfonic acid

Systemtic Name: 6-(2-hydroxyethylsulfonyl)-2-[[6-(2-hydroxyethylsulfonyl)-1-sulfo-naphthalen-2-yl]carbamoylamino]naphthalene-1-sulfonic acid Openeye Name: 6-(2-hydroxyethylsulfonyl)-2-[[6-(2-hydroxyethylsulfonyl)-1-sulfo-2-naphthyl]carbamoylamino]naphthalene-1-sulfonic acid CAS Name: 6-(2-hydroxyethylsulfonyl)-2-[[[[6-(2-hydroxyethylsulfonyl)-1-sulfo-2-naphthalenyl]amino]-oxomethyl]amino]-1-naphthalenesulfonic acid IUPAC Name: 6-(2-hydroxyethylsulfonyl)-2-[[6-(2-hydroxyethylsulfonyl)-1-sulfonaphthalen-2-yl]carbamoylamino]naphthalene-1-sulfonic acid Traditional Name: 6-(2-hydroxyethylsulfonyl)-2-[[6-(2-hydroxyethylsulfonyl)-1-sulfo-2-naphthyl]carbamoylamino]naphthalene-1-sulfonic acid Formula: C25H24N2O13S4 MolecularWeight: 688.72366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2S(=O)(=O)O)NC(=O)NC3=C(C4=C(C=C3)C=C(C=C4)S(=O)(=O)CCO)S(=O)(=O)O)C=C1S(=O)(=O)CCO

Isomeric SMILES

C1=CC2=C(C=CC(=C2S(=O)(=O)O)NC(=O)NC3=C(C4=C(C=C3)C=C(C=C4)S(=O)(=O)CCO)S(=O)(=O)O)C=C1S(=O)(=O)CCO

InChI

InChI=1S/C25H24N2O13S4/c28-9-11-41(31,32)17-3-5-19-15(13-17)1-7-21(23(19)43(35,36)37)26-25(30)27-22-8-2-16-14-18(42(33,34)12-10-29)4-6-20(16)24(22)44(38,39)40/h1-8,13-14,28-29H,9-12H2,(H2,26,27,30)(H,35,36,37)(H,38,39,40)