4-[[12-[(4,8-disulfonaphthalen-1-yl)amino]-12-oxidanylidene-dodecanoyl]amino]naphthalene-1,5-disulfonic acid

Systemtic Name: 4-[[12-[(4,8-disulfonaphthalen-1-yl)amino]-12-oxidanylidene-dodecanoyl]amino]naphthalene-1,5-disulfonic acid Openeye Name: 4-[[12-[(4,8-disulfo-1-naphthyl)amino]-12-oxo-dodecanoyl]amino]naphthalene-1,5-disulfonic acid CAS Name: 4-[[12-[(4,8-disulfo-1-naphthalenyl)amino]-1,12-dioxododecyl]amino]naphthalene-1,5-disulfonic acid IUPAC Name: 4-[[12-[(4,8-disulfonaphthalen-1-yl)amino]-12-oxododecanoyl]amino]naphthalene-1,5-disulfonic acid Traditional Name: 4-[[12-[(4,8-disulfo-1-naphthyl)amino]-12-keto-dodecanoyl]amino]naphthalene-1,5-disulfonic acid Formula: C32H36N2O14S4 MolecularWeight: 800.89324

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H36N2O14S4/c35-29(33-23-17-19-25(49(37,38)39)21-11-9-13-27(31(21)23)51(43,44)45)15-7-5-3-1-2-4-6-8-16-30(36)34-24-18-20-26(50(40,41)42)22-12-10-14-28(32(22)24)52(46,47)48/h9-14,17-20H,1-8,15-16H2,(H,33,35)(H,34,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)