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

Systemtic Name: 4-oxidanyl-5-[[8-[(8-oxidanyl-3,6-disulfo-naphthalen-1-yl)amino]-8-oxidanylidene-octanoyl]amino]naphthalene-2,7-disulfonic acid Openeye Name: 4-hydroxy-5-[[8-[(8-hydroxy-3,6-disulfo-1-naphthyl)amino]-8-oxo-octanoyl]amino]naphthalene-2,7-disulfonic acid CAS Name: 4-hydroxy-5-[[8-[(8-hydroxy-3,6-disulfo-1-naphthalenyl)amino]-1,8-dioxooctyl]amino]naphthalene-2,7-disulfonic acid IUPAC Name: 4-hydroxy-5-[[8-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)amino]-8-oxooctanoyl]amino]naphthalene-2,7-disulfonic acid Traditional Name: 4-hydroxy-5-[[8-[(8-hydroxy-3,6-disulfo-1-naphthyl)amino]-8-keto-octanoyl]amino]naphthalene-2,7-disulfonic acid Formula: C28H28N2O16S4 MolecularWeight: 776.78572

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)NC(=O)CCCCCCC(=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)CCCCCCC(=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/C28H28N2O16S4/c31-23-13-19(49(41,42)43)9-15-7-17(47(35,36)37)11-21(27(15)23)29-25(33)5-3-1-2-4-6-26(34)30-22-12-18(48(38,39)40)8-16-10-20(50(44,45)46)14-24(32)28(16)22/h7-14,31-32H,1-6H2,(H,29,33)(H,30,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)