4-oxidanyl-5-[(8-oxidanyl-3,6-disulfo-naphthalen-1-yl)carbamoylamino]naphthalene-2,7-disulfonic acid

Systemtic Name: 4-oxidanyl-5-[(8-oxidanyl-3,6-disulfo-naphthalen-1-yl)carbamoylamino]naphthalene-2,7-disulfonic acid Openeye Name: 4-hydroxy-5-[(8-hydroxy-3,6-disulfo-1-naphthyl)carbamoylamino]naphthalene-2,7-disulfonic acid CAS Name: 4-hydroxy-5-[[[(8-hydroxy-3,6-disulfo-1-naphthalenyl)amino]-oxomethyl]amino]naphthalene-2,7-disulfonic acid IUPAC Name: 4-hydroxy-5-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)carbamoylamino]naphthalene-2,7-disulfonic acid Traditional Name: 4-hydroxy-5-[(8-hydroxy-3,6-disulfo-1-naphthyl)carbamoylamino]naphthalene-2,7-disulfonic acid Formula: C21H16N2O15S4 MolecularWeight: 664.61614

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)NC(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4O)S(=O)(=O)O)O)S(=O)(=O)O

Isomeric SMILES

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)NC(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4O)S(=O)(=O)O)O)S(=O)(=O)O

InChI

InChI=1S/C21H16N2O15S4/c24-17-7-13(41(33,34)35)3-9-1-11(39(27,28)29)5-15(19(9)17)22-21(26)23-16-6-12(40(30,31)32)2-10-4-14(42(36,37)38)8-18(25)20(10)16/h1-8,24-25H,(H2,22,23,26)(H,27,28,29)(H,30,31,32)(H,33,34,35)(H,36,37,38)