3-[10-[(4,8-disulfonaphthalen-2-yl)-methanoyl-amino]decyl-methanoyl-amino]naphthalene-1,5-disulfonic acid

Systemtic Name: 3-[10-[(4,8-disulfonaphthalen-2-yl)-methanoyl-amino]decyl-methanoyl-amino]naphthalene-1,5-disulfonic acid Openeye Name: 3-[10-[(4,8-disulfo-2-naphthyl)-formyl-amino]decyl-formyl-amino]naphthalene-1,5-disulfonic acid CAS Name: 3-[10-[(4,8-disulfo-2-naphthalenyl)-formylamino]decyl-formylamino]naphthalene-1,5-disulfonic acid IUPAC Name: 3-[10-[(4,8-disulfonaphthalen-2-yl)-formylamino]decyl-formylamino]naphthalene-1,5-disulfonic acid Traditional Name: 3-[10-[(4,8-disulfo-2-naphthyl)-formyl-amino]decyl-formyl-amino]naphthalene-1,5-disulfonic acid Formula: C32H36N2O14S4 MolecularWeight: 800.89324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)O)N(CCCCCCCCCCN(C=O)C3=CC(=C4C=CC=C(C4=C3)S(=O)(=O)O)S(=O)(=O)O)C=O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)O)N(CCCCCCCCCCN(C=O)C3=CC(=C4C=CC=C(C4=C3)S(=O)(=O)O)S(=O)(=O)O)C=O)S(=O)(=O)O

InChI

InChI=1S/C32H36N2O14S4/c35-21-33(23-17-27-25(31(19-23)51(43,44)45)11-9-13-29(27)49(37,38)39)15-7-5-3-1-2-4-6-8-16-34(22-36)24-18-28-26(32(20-24)52(46,47)48)12-10-14-30(28)50(40,41)42/h9-14,17-22H,1-8,15-16H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)