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

Systemtic Name: 2-[6-[(5-oxidanyl-7-sulfo-naphthalen-2-yl)carbamoylamino]-3-sulfo-naphthalen-1-yl]oxyethanoic acid Openeye Name: 2-[[6-[(5-hydroxy-7-sulfo-2-naphthyl)carbamoylamino]-3-sulfo-1-naphthyl]oxy]acetic acid CAS Name: 2-[[6-[[[(5-hydroxy-7-sulfo-2-naphthalenyl)amino]-oxomethyl]amino]-3-sulfo-1-naphthalenyl]oxy]acetic acid IUPAC Name: 2-[6-[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoylamino]-3-sulfonaphthalen-1-yl]oxyacetic acid Traditional Name: 2-[6-[(5-hydroxy-7-sulfo-2-naphthyl)carbamoylamino]-3-sulfo-1-naphthoxy]acetic acid Formula: C23H18N2O11S2 MolecularWeight: 562.52582

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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)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)O

InChI

InChI=1S/C23H18N2O11S2/c26-20-9-16(37(30,31)32)7-12-5-14(1-3-18(12)20)24-23(29)25-15-2-4-19-13(6-15)8-17(38(33,34)35)10-21(19)36-11-22(27)28/h1-10,26H,11H2,(H,27,28)(H2,24,25,29)(H,30,31,32)(H,33,34,35)