3-[[10-[(4,8-disulfonaphthalen-2-yl)amino]-10-oxidanylidene-decanoyl]amino]naphthalene-1,5-disulfonic acid

Systemtic Name: 3-[[10-[(4,8-disulfonaphthalen-2-yl)amino]-10-oxidanylidene-decanoyl]amino]naphthalene-1,5-disulfonic acid Openeye Name: 3-[[10-[(4,8-disulfo-2-naphthyl)amino]-10-oxo-decanoyl]amino]naphthalene-1,5-disulfonic acid CAS Name: 3-[[10-[(4,8-disulfo-2-naphthalenyl)amino]-1,10-dioxodecyl]amino]naphthalene-1,5-disulfonic acid IUPAC Name: 3-[[10-[(4,8-disulfonaphthalen-2-yl)amino]-10-oxodecanoyl]amino]naphthalene-1,5-disulfonic acid Traditional Name: 3-[[10-[(4,8-disulfo-2-naphthyl)amino]-10-keto-decanoyl]amino]naphthalene-1,5-disulfonic acid Formula: C30H32N2O14S4 MolecularWeight: 772.84008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)O)NC(=O)CCCCCCCCC(=O)NC3=CC(=C4C=CC=C(C4=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)O)NC(=O)CCCCCCCCC(=O)NC3=CC(=C4C=CC=C(C4=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C30H32N2O14S4/c33-29(31-19-15-23-21(27(17-19)49(41,42)43)9-7-11-25(23)47(35,36)37)13-5-3-1-2-4-6-14-30(34)32-20-16-24-22(28(18-20)50(44,45)46)10-8-12-26(24)48(38,39)40/h7-12,15-18H,1-6,13-14H2,(H,31,33)(H,32,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)