4-[[8-oxidanylidene-8-[(4-sulfonaphthalen-1-yl)amino]octanoyl]amino]naphthalene-1-sulfonic acid

Systemtic Name: 4-[[8-oxidanylidene-8-[(4-sulfonaphthalen-1-yl)amino]octanoyl]amino]naphthalene-1-sulfonic acid Openeye Name: 4-[[8-oxo-8-[(4-sulfo-1-naphthyl)amino]octanoyl]amino]naphthalene-1-sulfonic acid CAS Name: 4-[[1,8-dioxo-8-[(4-sulfo-1-naphthalenyl)amino]octyl]amino]-1-naphthalenesulfonic acid IUPAC Name: 4-[[8-oxo-8-[(4-sulfonaphthalen-1-yl)amino]octanoyl]amino]naphthalene-1-sulfonic acid Traditional Name: 4-[[8-keto-8-[(4-sulfo-1-naphthyl)amino]octanoyl]amino]naphthalene-1-sulfonic acid Formula: C28H28N2O8S2 MolecularWeight: 584.66052

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H28N2O8S2/c31-27(29-23-15-17-25(39(33,34)35)21-11-7-5-9-19(21)23)13-3-1-2-4-14-28(32)30-24-16-18-26(40(36,37)38)22-12-8-6-10-20(22)24/h5-12,15-18H,1-4,13-14H2,(H,29,31)(H,30,32)(H,33,34,35)(H,36,37,38)