4-oxidanyl-5-[[12-[(8-oxidanyl-3,6-disulfo-naphthalen-1-yl)amino]-12-oxidanylidene-dodecanoyl]amino]naphthalene-2,7-disulfonic acid

Systemtic Name: 4-oxidanyl-5-[[12-[(8-oxidanyl-3,6-disulfo-naphthalen-1-yl)amino]-12-oxidanylidene-dodecanoyl]amino]naphthalene-2,7-disulfonic acid Openeye Name: 4-hydroxy-5-[[12-[(8-hydroxy-3,6-disulfo-1-naphthyl)amino]-12-oxo-dodecanoyl]amino]naphthalene-2,7-disulfonic acid CAS Name: 4-hydroxy-5-[[12-[(8-hydroxy-3,6-disulfo-1-naphthalenyl)amino]-1,12-dioxododecyl]amino]naphthalene-2,7-disulfonic acid IUPAC Name: 4-hydroxy-5-[[12-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)amino]-12-oxododecanoyl]amino]naphthalene-2,7-disulfonic acid Traditional Name: 4-hydroxy-5-[[12-[(8-hydroxy-3,6-disulfo-1-naphthyl)amino]-12-keto-dodecanoyl]amino]naphthalene-2,7-disulfonic acid Formula: C32H36N2O16S4 MolecularWeight: 832.89204

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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=C4O)S(=O)(=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=C4O)S(=O)(=O)O)O)S(=O)(=O)O

InChI

InChI=1S/C32H36N2O16S4/c35-27-17-23(53(45,46)47)13-19-11-21(51(39,40)41)15-25(31(19)27)33-29(37)9-7-5-3-1-2-4-6-8-10-30(38)34-26-16-22(52(42,43)44)12-20-14-24(54(48,49)50)18-28(36)32(20)26/h11-18,35-36H,1-10H2,(H,33,37)(H,34,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)