4-oxidanyl-7-[[4-oxidanylidene-6-[(5-oxidanyl-7-sulfo-naphthalen-2-yl)carbamoyl]pyran-2-yl]carbonylamino]naphthalene-2-sulfonic acid

Systemtic Name: 4-oxidanyl-7-[[4-oxidanylidene-6-[(5-oxidanyl-7-sulfo-naphthalen-2-yl)carbamoyl]pyran-2-yl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 4-hydroxy-7-[[6-[(5-hydroxy-7-sulfo-2-naphthyl)carbamoyl]-4-oxo-pyran-2-carbonyl]amino]naphthalene-2-sulfonic acid CAS Name: 4-hydroxy-7-[[[6-[[(5-hydroxy-7-sulfo-2-naphthalenyl)amino]-oxomethyl]-4-oxo-2-pyranyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-7-[[6-[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoyl]-4-oxopyran-2-carbonyl]amino]naphthalene-2-sulfonic acid Traditional Name: 4-hydroxy-7-[[6-[(5-hydroxy-7-sulfo-2-naphthyl)carbamoyl]-4-keto-pyran-2-carbonyl]amino]naphthalene-2-sulfonic acid Formula: C27H18N2O12S2 MolecularWeight: 626.56802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C=C1NC(=O)C3=CC(=O)C=C(O3)C(=O)NC4=CC5=CC(=CC(=C5C=C4)O)S(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

C1=CC2=C(C=C(C=C2C=C1NC(=O)C3=CC(=O)C=C(O3)C(=O)NC4=CC5=CC(=CC(=C5C=C4)O)S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C27H18N2O12S2/c30-17-9-24(26(33)28-15-1-3-20-13(5-15)7-18(11-22(20)31)42(35,36)37)41-25(10-17)27(34)29-16-2-4-21-14(6-16)8-19(12-23(21)32)43(38,39)40/h1-12,31-32H,(H,28,33)(H,29,34)(H,35,36,37)(H,38,39,40)