4-[[8-[(4,8-disulfonaphthalen-1-yl)amino]-8-oxidanylidene-octanoyl]amino]naphthalene-1,5-disulfonic acid

Systemtic Name: 4-[[8-[(4,8-disulfonaphthalen-1-yl)amino]-8-oxidanylidene-octanoyl]amino]naphthalene-1,5-disulfonic acid Openeye Name: 4-[[8-[(4,8-disulfo-1-naphthyl)amino]-8-oxo-octanoyl]amino]naphthalene-1,5-disulfonic acid CAS Name: 4-[[8-[(4,8-disulfo-1-naphthalenyl)amino]-1,8-dioxooctyl]amino]naphthalene-1,5-disulfonic acid IUPAC Name: 4-[[8-[(4,8-disulfonaphthalen-1-yl)amino]-8-oxooctanoyl]amino]naphthalene-1,5-disulfonic acid Traditional Name: 4-[[8-[(4,8-disulfo-1-naphthyl)amino]-8-keto-octanoyl]amino]naphthalene-1,5-disulfonic acid Formula: C28H28N2O14S4 MolecularWeight: 744.78692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2C(=C1)S(=O)(=O)O)NC(=O)CCCCCCC(=O)NC3=C4C(=C(C=C3)S(=O)(=O)O)C=CC=C4S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2C(=C1)S(=O)(=O)O)NC(=O)CCCCCCC(=O)NC3=C4C(=C(C=C3)S(=O)(=O)O)C=CC=C4S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C28H28N2O14S4/c31-25(29-19-13-15-21(45(33,34)35)17-7-5-9-23(27(17)19)47(39,40)41)11-3-1-2-4-12-26(32)30-20-14-16-22(46(36,37)38)18-8-6-10-24(28(18)20)48(42,43)44/h5-10,13-16H,1-4,11-12H2,(H,29,31)(H,30,32)(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)