2-[6-[[5-(carboxymethyloxy)-7-sulfo-naphthalen-2-yl]carbamoylamino]-3-sulfo-naphthalen-1-yl]oxyethanoic acid

Systemtic Name: 2-[6-[[5-(carboxymethyloxy)-7-sulfo-naphthalen-2-yl]carbamoylamino]-3-sulfo-naphthalen-1-yl]oxyethanoic acid Openeye Name: 2-[[6-[[5-(carboxymethyloxy)-7-sulfo-2-naphthyl]carbamoylamino]-3-sulfo-1-naphthyl]oxy]acetic acid CAS Name: 2-[[6-[[[[5-(carboxymethyloxy)-7-sulfo-2-naphthalenyl]amino]-oxomethyl]amino]-3-sulfo-1-naphthalenyl]oxy]acetic acid IUPAC Name: 2-[6-[[5-(carboxymethyloxy)-7-sulfonaphthalen-2-yl]carbamoylamino]-3-sulfonaphthalen-1-yl]oxyacetic acid Traditional Name: 2-[6-[[5-(carboxymethyloxy)-7-sulfo-2-naphthyl]carbamoylamino]-3-sulfo-1-naphthoxy]acetic acid Formula: C25H20N2O13S2 MolecularWeight: 620.5619

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C=C1NC(=O)NC3=CC4=CC(=CC(=C4C=C3)OCC(=O)O)S(=O)(=O)O)S(=O)(=O)O)OCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C(C=C2C=C1NC(=O)NC3=CC4=CC(=CC(=C4C=C3)OCC(=O)O)S(=O)(=O)O)S(=O)(=O)O)OCC(=O)O

InChI

InChI=1S/C25H20N2O13S2/c28-23(29)11-39-21-9-17(41(33,34)35)7-13-5-15(1-3-19(13)21)26-25(32)27-16-2-4-20-14(6-16)8-18(42(36,37)38)10-22(20)40-12-24(30)31/h1-10H,11-12H2,(H,28,29)(H,30,31)(H2,26,27,32)(H,33,34,35)(H,36,37,38)