4-[[12-oxidanylidene-12-[(4-sulfonaphthalen-1-yl)amino]dodecanoyl]amino]naphthalene-1-sulfonic acid

Systemtic Name: 4-[[12-oxidanylidene-12-[(4-sulfonaphthalen-1-yl)amino]dodecanoyl]amino]naphthalene-1-sulfonic acid Openeye Name: 4-[[12-oxo-12-[(4-sulfo-1-naphthyl)amino]dodecanoyl]amino]naphthalene-1-sulfonic acid CAS Name: 4-[[1,12-dioxo-12-[(4-sulfo-1-naphthalenyl)amino]dodecyl]amino]-1-naphthalenesulfonic acid IUPAC Name: 4-[[12-oxo-12-[(4-sulfonaphthalen-1-yl)amino]dodecanoyl]amino]naphthalene-1-sulfonic acid Traditional Name: 4-[[12-keto-12-[(4-sulfo-1-naphthyl)amino]dodecanoyl]amino]naphthalene-1-sulfonic acid Formula: C32H36N2O8S2 MolecularWeight: 640.76684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)NC(=O)CCCCCCCCCCC(=O)NC3=CC=C(C4=CC=CC=C43)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)NC(=O)CCCCCCCCCCC(=O)NC3=CC=C(C4=CC=CC=C43)S(=O)(=O)O

InChI

InChI=1S/C32H36N2O8S2/c35-31(33-27-19-21-29(43(37,38)39)25-15-11-9-13-23(25)27)17-7-5-3-1-2-4-6-8-18-32(36)34-28-20-22-30(44(40,41)42)26-16-12-10-14-24(26)28/h9-16,19-22H,1-8,17-18H2,(H,33,35)(H,34,36)(H,37,38,39)(H,40,41,42)