4-oxidanyl-5-[[10-[(8-oxidanyl-3,6-disulfo-naphthalen-1-yl)amino]-10-oxidanylidene-decanoyl]amino]naphthalene-2,7-disulfonic acid

Systemtic Name: 4-oxidanyl-5-[[10-[(8-oxidanyl-3,6-disulfo-naphthalen-1-yl)amino]-10-oxidanylidene-decanoyl]amino]naphthalene-2,7-disulfonic acid Openeye Name: 4-hydroxy-5-[[10-[(8-hydroxy-3,6-disulfo-1-naphthyl)amino]-10-oxo-decanoyl]amino]naphthalene-2,7-disulfonic acid CAS Name: 4-hydroxy-5-[[10-[(8-hydroxy-3,6-disulfo-1-naphthalenyl)amino]-1,10-dioxodecyl]amino]naphthalene-2,7-disulfonic acid IUPAC Name: 4-hydroxy-5-[[10-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)amino]-10-oxodecanoyl]amino]naphthalene-2,7-disulfonic acid Traditional Name: 4-hydroxy-5-[[10-[(8-hydroxy-3,6-disulfo-1-naphthyl)amino]-10-keto-decanoyl]amino]naphthalene-2,7-disulfonic acid Formula: C30H32N2O16S4 MolecularWeight: 804.83888

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)NC(=O)CCCCCCCCC(=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)CCCCCCCCC(=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/C30H32N2O16S4/c33-25-15-21(51(43,44)45)11-17-9-19(49(37,38)39)13-23(29(17)25)31-27(35)7-5-3-1-2-4-6-8-28(36)32-24-14-20(50(40,41)42)10-18-12-22(52(46,47)48)16-26(34)30(18)24/h9-16,33-34H,1-8H2,(H,31,35)(H,32,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)