8-[[12-oxidanylidene-12-[(3,6,8-trisulfonaphthalen-1-yl)amino]dodecanoyl]amino]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 8-[[12-oxidanylidene-12-[(3,6,8-trisulfonaphthalen-1-yl)amino]dodecanoyl]amino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-[[12-oxo-12-[(3,6,8-trisulfo-1-naphthyl)amino]dodecanoyl]amino]naphthalene-1,3,6-trisulfonic acid CAS Name: 8-[[1,12-dioxo-12-[(3,6,8-trisulfo-1-naphthalenyl)amino]dodecyl]amino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-[[12-oxo-12-[(3,6,8-trisulfonaphthalen-1-yl)amino]dodecanoyl]amino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-[[12-keto-12-[(3,6,8-trisulfo-1-naphthyl)amino]dodecanoyl]amino]naphthalene-1,3,6-trisulfonic acid Formula: C32H36N2O20S6 MolecularWeight: 961.01964

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)NC(=O)CCCCCCCCCCC(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)NC(=O)CCCCCCCCCCC(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C32H36N2O20S6/c35-29(33-25-15-21(55(37,38)39)11-19-13-23(57(43,44)45)17-27(31(19)25)59(49,50)51)9-7-5-3-1-2-4-6-8-10-30(36)34-26-16-22(56(40,41)42)12-20-14-24(58(46,47)48)18-28(32(20)26)60(52,53)54/h11-18H,1-10H2,(H,33,35)(H,34,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)