7-[[12-[(6,8-disulfonaphthalen-2-yl)amino]-12-oxidanylidene-dodecanoyl]amino]naphthalene-1,3-disulfonic acid

Systemtic Name: 7-[[12-[(6,8-disulfonaphthalen-2-yl)amino]-12-oxidanylidene-dodecanoyl]amino]naphthalene-1,3-disulfonic acid Openeye Name: 7-[[12-[(6,8-disulfo-2-naphthyl)amino]-12-oxo-dodecanoyl]amino]naphthalene-1,3-disulfonic acid CAS Name: 7-[[12-[(6,8-disulfo-2-naphthalenyl)amino]-1,12-dioxododecyl]amino]naphthalene-1,3-disulfonic acid IUPAC Name: 7-[[12-[(6,8-disulfonaphthalen-2-yl)amino]-12-oxododecanoyl]amino]naphthalene-1,3-disulfonic acid Traditional Name: 7-[[12-[(6,8-disulfo-2-naphthyl)amino]-12-keto-dodecanoyl]amino]naphthalene-1,3-disulfonic acid Formula: C32H36N2O14S4 MolecularWeight: 800.89324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)O)NC(=O)CCCCCCCCCCC(=O)NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)O)NC(=O)CCCCCCCCCCC(=O)NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C32H36N2O14S4/c35-31(33-23-13-11-21-15-25(49(37,38)39)19-29(27(21)17-23)51(43,44)45)9-7-5-3-1-2-4-6-8-10-32(36)34-24-14-12-22-16-26(50(40,41)42)20-30(28(22)18-24)52(46,47)48/h11-20H,1-10H2,(H,33,35)(H,34,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)