3-[[12-[(4,8-disulfonaphthalen-2-yl)amino]-12-oxidanylidene-dodecanoyl]amino]naphthalene-1,5-disulfonic acid

Systemtic Name: 3-[[12-[(4,8-disulfonaphthalen-2-yl)amino]-12-oxidanylidene-dodecanoyl]amino]naphthalene-1,5-disulfonic acid Openeye Name: 3-[[12-[(4,8-disulfo-2-naphthyl)amino]-12-oxo-dodecanoyl]amino]naphthalene-1,5-disulfonic acid CAS Name: 3-[[12-[(4,8-disulfo-2-naphthalenyl)amino]-1,12-dioxododecyl]amino]naphthalene-1,5-disulfonic acid IUPAC Name: 3-[[12-[(4,8-disulfonaphthalen-2-yl)amino]-12-oxododecanoyl]amino]naphthalene-1,5-disulfonic acid Traditional Name: 3-[[12-[(4,8-disulfo-2-naphthyl)amino]-12-keto-dodecanoyl]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)NC(=O)CCCCCCCCCCC(=O)NC3=CC(=C4C=CC=C(C4=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)O)NC(=O)CCCCCCCCCCC(=O)NC3=CC(=C4C=CC=C(C4=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C32H36N2O14S4/c35-31(33-21-17-25-23(29(19-21)51(43,44)45)11-9-13-27(25)49(37,38)39)15-7-5-3-1-2-4-6-8-16-32(36)34-22-18-26-24(30(20-22)52(46,47)48)12-10-14-28(26)50(40,41)42/h9-14,17-20H,1-8,15-16H2,(H,33,35)(H,34,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)