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

Systemtic Name: 5-oxidanyl-3-[(8-oxidanyl-3,6-disulfo-naphthalen-2-yl)carbamoylamino]naphthalene-2,7-disulfonic acid Openeye Name: 5-hydroxy-3-[(8-hydroxy-3,6-disulfo-2-naphthyl)carbamoylamino]naphthalene-2,7-disulfonic acid CAS Name: 5-hydroxy-3-[[[(8-hydroxy-3,6-disulfo-2-naphthalenyl)amino]-oxomethyl]amino]naphthalene-2,7-disulfonic acid IUPAC Name: 5-hydroxy-3-[(8-hydroxy-3,6-disulfonaphthalen-2-yl)carbamoylamino]naphthalene-2,7-disulfonic acid Traditional Name: 5-hydroxy-3-[(8-hydroxy-3,6-disulfo-2-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=CC(=C1S(=O)(=O)O)NC(=O)NC3=C(C=C4C=C(C=C(C4=C3)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O

Isomeric SMILES

C1=C2C=C(C=C(C2=CC(=C1S(=O)(=O)O)NC(=O)NC3=C(C=C4C=C(C=C(C4=C3)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O

InChI

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