4-oxidanyl-7-[[7-sulfo-5-(3-sulfopropoxy)naphthalen-2-yl]carbamoylamino]naphthalene-2-sulfonic acid

Systemtic Name: 4-oxidanyl-7-[[7-sulfo-5-(3-sulfopropoxy)naphthalen-2-yl]carbamoylamino]naphthalene-2-sulfonic acid Openeye Name: 4-hydroxy-7-[[7-sulfo-5-(3-sulfopropoxy)-2-naphthyl]carbamoylamino]naphthalene-2-sulfonic acid CAS Name: 4-hydroxy-7-[[oxo-[[7-sulfo-5-(3-sulfopropoxy)-2-naphthalenyl]amino]methyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-7-[[7-sulfo-5-(3-sulfopropoxy)naphthalen-2-yl]carbamoylamino]naphthalene-2-sulfonic acid Traditional Name: 4-hydroxy-7-[[7-sulfo-5-(3-sulfopropoxy)-2-naphthyl]carbamoylamino]naphthalene-2-sulfonic acid Formula: C24H22N2O12S3 MolecularWeight: 626.63268

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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)OCCCS(=O)(=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)OCCCS(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C24H22N2O12S3/c27-22-12-18(40(32,33)34)10-14-8-16(2-4-20(14)22)25-24(28)26-17-3-5-21-15(9-17)11-19(41(35,36)37)13-23(21)38-6-1-7-39(29,30)31/h2-5,8-13,27H,1,6-7H2,(H2,25,26,28)(H,29,30,31)(H,32,33,34)(H,35,36,37)