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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(C=C(C2=C1O)S(=O)(=O)O)NC(=O)NC3=CC4=C(C=CC(=C4C(=C3)S(=O)(=O)O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C2C=C(C=C(C2=C1O)S(=O)(=O)O)NC(=O)NC3=CC4=C(C=CC(=C4C(=C3)S(=O)(=O)O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

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