4-[[7-[(4,8-disulfonaphthalen-1-yl)amino]-7-oxidanylidene-heptanoyl]amino]naphthalene-1,5-disulfonic acid

Systemtic Name: 4-[[7-[(4,8-disulfonaphthalen-1-yl)amino]-7-oxidanylidene-heptanoyl]amino]naphthalene-1,5-disulfonic acid Openeye Name: 4-[[7-[(4,8-disulfo-1-naphthyl)amino]-7-oxo-heptanoyl]amino]naphthalene-1,5-disulfonic acid CAS Name: 4-[[7-[(4,8-disulfo-1-naphthalenyl)amino]-1,7-dioxoheptyl]amino]naphthalene-1,5-disulfonic acid IUPAC Name: 4-[[7-[(4,8-disulfonaphthalen-1-yl)amino]-7-oxoheptanoyl]amino]naphthalene-1,5-disulfonic acid Traditional Name: 4-[[7-[(4,8-disulfo-1-naphthyl)amino]-7-keto-heptanoyl]amino]naphthalene-1,5-disulfonic acid Formula: C27H26N2O14S4 MolecularWeight: 730.76034

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H26N2O14S4/c30-24(28-18-12-14-20(44(32,33)34)16-6-4-8-22(26(16)18)46(38,39)40)10-2-1-3-11-25(31)29-19-13-15-21(45(35,36)37)17-7-5-9-23(27(17)19)47(41,42)43/h4-9,12-15H,1-3,10-11H2,(H,28,30)(H,29,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)